466	762	899	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	C	3:3:3:1:	4:3:2:	4:	C[3x6]-3:C[3x6]-3:C[6,6]-3:C-1:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(C)	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6])	C(C[3x6]C[3x6]2C[6,6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(C){2|C<3>,4|C<2>}	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	C(C[3x6]C[3x6]2C[6,6])	114.1160	0.007	2	114.1160	0.000	2	114.1160	0.000	2	114.1160	0.000	2	114.1160	0.000	2	117.0440	14.276	5
466	762	899	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	C	3:3:3:1:	4:3:3:	4:	C[3x6]-3:C[3x6]-3:C[6,6]-3:C-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(C)	C[6,6](C[3x6]C[3x6]2C)(C[6,6]C[3x6]C)(COO)	C(C[3x6]C[3x6]2C[6,6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)(C){2|C<3>,4|C<2>}	C[6,6](C[3x6]C[3x6]2C)(C[6,6]C[3x6]C)(COO){2|C<2>,2|C<3>}	C(C[3x6]C[3x6]2C[6,6])	114.6400	0.000	1	114.6400	0.000	1	114.6400	0.000	1	114.6400	0.000	1	114.6400	0.000	1	117.0440	14.276	5
466	762	899	0:SP3_SP-NON_SP2	C[6]	C[6]	C	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]O)(C)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<1>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)	120.9930	0.000	1	120.9930	0.000	1	120.9930	0.000	1	120.9930	0.000	1	121.1740	0.066	2	117.0440	14.276	5
466	762	899	0:SP3_SP-NON_SP2	C[6]	C[6]	C	3:3:1:1:	4:3:2:	4:	C[6]-3:C[6]-3:C-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)	C(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]O)(C)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH){1|C<1>,1|C<3>,2|H<1>}	C(C[6]C[6]2H)	121.3550	0.000	1	121.3550	0.000	1	121.3550	0.000	1	121.3550	0.000	1	121.1740	0.066	2	117.0440	14.276	5
466	762	909	0:SP3_SP2_SP2	C[6]	C[6]	S	3:2:2:1:	4:3:1:	4:3:	C[6]-3:O[6]-2:S-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]H)(O[6]C[6])(SC[6a])(H)	C[6](C[6]O[6]HS)(C[6]C[6]H)(H)	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]H)(O[6]C[6])(SC[6a])(H){2|C<4>,2|H<1>}	C[6](C[6]O[6]HS)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	109.6310	0.716	2	109.6310	0.512	2	109.6310	0.512	2	109.6310	0.512	2	107.5033	16.110	30	107.5033	16.110	30
466	762	909	0:SP3_SP2_SP2	C[6]	C[6]	S	3:3:4:2:	3:4:1:	4:3:	C[6]-3:N[6]-3:C-4:S-2:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a])	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CS)(O)	S(C[6]C[6]N[6]C)(C[6a]C[6a]2)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a]){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CS)(O){1|C<3>,2|H<1>,4|C<4>}	S(C[6]C[6]N[6]C)(C[6a]C[6a]2)	104.1460	0.000	1	104.1460	0.000	1	104.1460	0.000	1	104.1460	0.000	1	107.5033	16.110	30	107.5033	16.110	30
466	762	909	0:SP3_SP2_SP2	C[6]	C[6]	S	3:3:4:2:	4:3:1:	3:4:	C[6]-3:C[6]-3:C-4:S-2:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a])	C[6](C[6]C[6]CS)(C[6]C[6]H)(O)	S(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a]){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CS)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<1>}	S(C[6a]C[6a]2)(C[6]C[6]2C)	99.6960	0.000	1	99.6960	0.000	1	99.6960	0.000	1	99.6960	0.000	1	107.5033	16.110	30	107.5033	16.110	30
466	762	909	0:SP3_SP2_SP2	C[6]	C[6]	S	3:3:4:2:	4:4:1:	3:4:	C[6]-3:C[6]-3:C-4:S-2:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a])	C[6](C[6]C[6]CC)(C[6]C[6]CS)(O)	S(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6]O)2(CC[6a]CH)(SC[6a]){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CS)(O){1|C<3>,1|H<1>,1|O<1>}	S(C[6a]C[6a]2)(C[6]C[6]2C)	105.7170	0.000	1	105.7170	0.000	1	105.7170	0.000	1	105.7170	0.000	1	107.5033	16.110	30	107.5033	16.110	30
466	762	909	0:SP3_SP2_SP2	C[6]	C[6]	S	3:4:2:1:	3:4:1:	3:4:	C[6]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(SC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	S(C[6a]N[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(SC[6a])(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	S(C[6a]N[6a]2)(C[6]C[6]2H)	112.7510	0.000	1	112.7510	0.000	1	111.0217	8.393	3	111.0217	8.393	3	107.5033	16.110	30	107.5033	16.110	30
466	762	909	0:SP3_SP2_SP2	C[6]	C[6]	S	3:4:2:1:	3:4:1:	3:4:	C[6]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	S(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a])(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|O<2>,2|C<3>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)	110.1570	3.507	2	110.1570	12.301	2	111.0217	8.393	3	111.0217	8.393	3	107.5033	16.110	30	107.5033	16.110	30
466	762	909	0:SP3_SP2_SP2	C[6]	C[6]	S	4:3:2:1:	4:3:1:	3:4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a])(H)	C[6](C[6]C[6]HS)(C[6]O[6]H)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(C[6]C[6]2H)	109.8520	1.639	2	109.8520	2.687	2	109.8520	2.687	2	109.8520	2.687	2	107.5033	16.110	30	107.5033	16.110	30
466	762	909	0:SP3_SP2_SP2	C[6]	C[6]	S	4:3:2:1:	4:3:1:	4:3:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	S(C[6]C[6]2H)(CC[6]N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	S(C[6]C[6]2H)(CC[6]N)	104.2700	0.000	1	104.2700	0.000	1	104.2700	0.000	1	104.2700	0.000	1	107.5033	16.110	30	107.5033	16.110	30
466	762	909	0:SP3_SP2_SP2	C[6]	C[6]	S	4:3:2:1:	4:3:2:	3:4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(SC[6a])(H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(OH)	S(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(SC[6a])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]HS)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)	113.5710	0.317	3	113.5710	0.100	3	113.5710	0.100	3	113.5710	0.100	3	107.5033	16.110	30	107.5033	16.110	30
466	762	909	0:SP3_SP2_SP2	C[6]	C[6]	S	4:3:2:1:	4:4:1:	3:4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(O)	S(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(O){1|H<1>,1|O<2>,3|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2H)	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	107.5033	16.110	30	107.5033	16.110	30
466	762	909	0:SP3_SP2_SP2	C[6]	C[6]	S	4:3:2:1:	4:4:2:	3:4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-4:N-2:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NN[5])	S(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NN[5]){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)	106.3050	1.177	3	106.3050	1.386	3	106.3050	1.386	3	106.3050	1.386	3	107.5033	16.110	30	107.5033	16.110	30
466	762	909	0:SP3_SP2_SP2	C[6]	C[6]	S	4:3:2:2:	4:3:1:	3:4:	C[6]-4:C[6]-3:S-2:S-2:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a])2	C[6](C[6]C[6]SS)(N[6]C[6]C)(O)	S(C[6a]C[6a]2)(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a])2{2|C<4>,2|H<1>}	C[6](C[6]C[6]SS)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2S)	105.9749	4.177	10	105.9749	17.449	10	105.9749	17.449	10	105.9749	17.449	10	107.5033	16.110	30	107.5033	16.110	30
466	762	909	0:SP3_SP2_SP2	C[6]	C[6]	S	4:3:2:4:	4:2:1:	3:4:	C[6]-4:C[6]-3:S-2:C-4:	C[6]-4:O[6]-2:O-1:	C[6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a])(CH3)	C[6](C[6]C[6]CS)(O[6]C[6])(O)	S(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a])(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[6]CS)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2C)	105.8930	0.668	2	105.8930	0.446	2	105.8930	0.446	2	105.8930	0.446	2	107.5033	16.110	30	107.5033	16.110	30
466	762	909	0:SP3_SP2_SP3	C[6,6]	C[6]	S	3:4:3:2:	4:3:1:	4:2:	N[6,6]-3:C[6]-4:C[6]-3:S-2:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:S-2:	C[6,6](N[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]N[6]O)(SS)	C[6](C[6,6]N[6,6]C[6]S)(N[6]C[6]C)(O)	S(C[6,6]N[6,6]C[6]2)(SC)	C[6,6](N[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]N[6]O)(SS){1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]N[6,6]C[6]S)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	S(C[6,6]N[6,6]C[6]2)(SC)	100.4970	0.000	1	100.4970	0.000	1	100.4970	0.000	1	100.4970	0.000	1	103.4323	8.098	3	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6,6]	C[6]	S	4:3:4:2:	3:4:1:	4:4:	C[6,6]-4:C[6]-3:C[6]-4:S-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O)	S(C[6,6]C[6,6]C[6]2)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6,6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	S(C[6,6]C[6,6]C[6]2)2	104.9000	1.809	2	104.9000	3.272	2	104.9000	3.272	2	104.9000	3.272	2	103.4323	8.098	3	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	3:2:2:1:	4:4:2:	4:1:	C[6]-3:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6]O)(O[6]C[6])(SH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)	S(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]O)(O[6]C[6])(SH)(H){1|C<1>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC){1|C<4>,1|H<1>,1|O<2>}	S(C[6]C[6]O[6]H)(H)	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	3:2:2:2:	3:4:2:	4:4:	C[6]-3:S[6]-2:O-2:S-2:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:C-4:	C[6](C[6]C[6,6a]N)(S[6]C[6])(OC)(SC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]OS)(NO)	S(C[6]C[6]S[6]O)(CH3)	C[6](C[6]C[6,6a]N)(S[6]C[6])(OC)(SC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]OS)(NO){1|C<4>,1|H<1>,2|C<3>}	S(C[6]C[6]S[6]O)(CH3)	110.2120	0.000	1	110.2120	0.000	1	110.2120	0.000	1	110.2120	0.000	1	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	3:3:2:1:	3:4:1:	4:4:	C[6]-3:N[6]-3:S-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:C-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(SC)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]HS)(O)	S(C[6]C[6]N[6]H)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(SC)(H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]HS)(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	S(C[6]C[6]N[6]H)(CH3)	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	3:3:2:1:	4:3:1:	4:4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H)	C[6](C[6]C[6,6a]HS)(N[6]C[6]C)(O)	S(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HS)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	S(C[6]C[6,6a]C[6]H)(CCHH)	107.2005	0.934	2	107.2005	0.873	2	107.2005	0.873	2	107.2005	0.873	2	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	3:3:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H)	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO)	S(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO){2|C<3>}	S(C[6]C[6,6a]C[6]H)(CH3)	112.1335	0.750	2	112.1335	0.563	2	112.1335	0.563	2	112.1335	0.563	2	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	3:3:3:2:	4:3:1:	4:4:	C[6]-3:N[6]-3:C-3:S-2:	C[6]-4:N[6]-3:O-1:	C[6]-4:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(SC)	C[6](C[6]N[6]CS)(N[6]C[6]C)(O)	S(C[6]C[6]N[6]C)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(SC){1|O<1>,2|C<4>}	C[6](C[6]N[6]CS)(N[6]C[6]C)(O){1|C<4>,1|S<2>,2|C<3>}	S(C[6]C[6]N[6]C)(CC[6a]HH)	108.9210	0.000	1	108.9210	0.000	1	108.9210	0.000	1	108.9210	0.000	1	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	3:3:4:2:	3:4:1:	4:4:	C[6]-3:C[6a]-3:C[6]-4:S-2:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:C-4:	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(SC)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6]S)(O)	S(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(SC){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6]S)(O){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	S(C[6]C[6a]C[6]2)(CCHH)	102.4540	0.000	1	102.4540	0.000	1	102.4540	0.000	1	104.4090	7.644	2	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	3:3:4:2:	3:4:1:	4:4:	C[6]-3:N[6]-3:C-4:S-2:	N[6]-3:C[6]-4:O-1:	C[6]-4:C-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC)	C[6](N[6]C[5,6]H)(C[6]N[6]CS)(O)	S(C[6]C[6]N[6]C)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC){1|C<4>,1|H<1>,1|O<1>}	C[6](N[6]C[5,6]H)(C[6]N[6]CS)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	S(C[6]C[6]N[6]C)(CH3)	106.3640	0.000	1	106.3640	0.000	1	106.3640	0.000	1	104.4090	7.644	2	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	3:3:4:2:	4:3:1:	4:2:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:N[6]-3:O-1:	C[6]-4:S-2:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS)	C[6](C[6]N[6]CS)(N[6]C[6]C)(O)	S(C[6]C[6]N[6]C)(SS)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS){1|O<1>,2|C<4>}	C[6](C[6]N[6]CS)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>}	S(C[6]C[6]N[6]C)(SS)	104.2070	0.757	2	104.2070	0.572	2	104.2070	0.572	2	104.2070	0.572	2	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	3:3:4:2:	4:3:1:	4:4:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:N[6]-3:O-1:	C[6]-4:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC)	C[6](C[6]N[6]CS)(N[6]C[6]H)(O)	S(C[6]C[6]N[6]C)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CS)(N[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	S(C[6]C[6]N[6]C)(CH3)	103.6390	0.000	1	103.6390	0.000	1	103.6390	0.000	1	103.6390	0.000	1	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	3:4:3:2:	3:4:1:	4:4:	C[6]-3:C[6]-4:C-3:S-2:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(SC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O)	S(C[6]C[6]2C)(CF3)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(SC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O){1|C<4>,2|C<3>,3|H<1>}	S(C[6]C[6]2C)(CF3)	102.3460	0.000	1	102.3460	0.000	1	102.3460	0.000	1	102.3460	0.000	1	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	4:3:2:1:	4:4:2:	4:4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)	S(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO){1|C<4>,4|H<1>}	S(C[6]C[6]2H)(CH3)	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	4:3:3:2:	3:4:1:	4:4:	C[6]-4:C[6]-3:C[6a]-3:S-2:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(SC)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6]S)(O)	S(C[6]C[6a]C[6]2)(CC[6a]CH)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(SC){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6]S)(O){1|S<2>,2|C<4>,2|H<1>,4|C<3>}	S(C[6]C[6a]C[6]2)(CC[6a]CH)	111.5560	0.000	1	111.5560	0.000	1	111.5560	0.000	1	111.5560	0.000	1	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	4:3:3:2:	4:4:1:	4:4:	C[6]-4:C[6]-3:C-3:S-2:	C[6]-4:C[6]-4:O-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP)	C[6](C[6]C[6]CH)(C[6]C[6]CS)(O)	S(C[6]C[6]2C)(PO3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CS)(O){1|C<4>,4|H<1>}	S(C[6]C[6]2C)(PO3)	104.5910	0.000	1	104.5910	0.000	1	104.4055	0.069	2	104.4055	0.069	2	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	4:3:3:2:	4:4:1:	4:4:	C[6]-4:C[6]-3:C-3:S-2:	C[6]-4:C[6]-4:O-1:	C[6]-4:P-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	S(C[6]C[6]2C)(PO3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	S(C[6]C[6]2C)(PO3)	104.2200	0.000	1	104.2200	0.000	1	104.4055	0.069	2	104.4055	0.069	2	107.1997	10.538	19	106.6860	11.555	22
466	762	909	0:SP3_SP2_SP3	C[6]	C[6]	S	4:3:4:2:	4:4:1:	4:4:	C[6]-4:C[6]-3:C-4:S-2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(SC)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	S(C[6]C[6]2C)(CCHH)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(SC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	S(C[6]C[6]2C)(CCHH)	107.1930	0.000	1	107.1930	0.000	1	107.1930	0.000	1	107.1930	0.000	1	107.1997	10.538	19	106.6860	11.555	22
466	762	914	0:SP3_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:2:	4:3:1:	4:3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-2:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6])	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O)	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O){1|Se<2>,1|N<2>,6|C<3>}	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6]C[6,6]C[6a]){1|N<2>,1|O<1>,8|C<3>}	107.6050	0.000	1	107.6050	0.000	1	107.6050	0.000	1	106.5313	0.911	3	106.5313	0.911	3	107.4822	4.224	4
466	762	914	0:SP3_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:2:	4:3:1:	4:3:	C[6,6a]-3:C[6]-3:C[6]-3:N[6]-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6])	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6,6a]N)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6,6a]N){2|H<1>,5|C<3>}	105.9945	0.303	2	105.9945	0.092	2	105.9945	0.092	2	106.5313	0.911	3	106.5313	0.911	3	107.4822	4.224	4
466	762	914	0:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]C[6]O)	N[6](C[6]C[6,6a]C[6]H)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H){1|H<1>,1|O<2>,3|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]C[6]O){1|S<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6]H)(S[6]O[6]OO){4|C<3>}	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	107.4822	4.224	4
466	762	914	6:SP3_SP2_SP2	C[3x6]	C[6,6]	N[6,6]	3:4:2:4:	3:4:1:	3:4:	C[6,6]-3:C[6,6]-4:N[6,6]-2:C-4:	N[5,6,6]-3:C[3x6]-4:O-1:	C[6,6]-3:C[3x6]-4:	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH)	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]C)(O)	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]C)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	109.3260	3.119	5	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[3x6]	C[6,6]	N[6,6]	4:3:2:1:	4:3:1:	4:3:	C[5,6,6]-4:C[6,6]-3:N[6,6]-2:H-1:	C[3x6]-4:N[5,6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[5,6,6]C[5,3x6]C[5])(O)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[5,6,6]C[5,3x6]C[5])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	112.2210	0.000	1	112.2210	0.000	1	112.2210	0.000	1	112.2210	0.000	1	109.3260	3.119	5	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[3x6]	C[6,6]	N[6,6]	4:3:2:3:	4:3:1:	4:3:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]C[6a])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]C[6a]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	109.3260	3.119	5	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[3x6]	C[6,6]	N[6,6]	4:3:2:4:	4:3:2:	4:3:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C-4:	C[3x6]-4:C[6,6]-3:C-2:	C[3x6]-4:C[6,6]-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]N)(CN)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3){1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]N)(CN){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	108.2625	0.199	2	108.2625	0.039	2	108.2625	0.039	2	108.2625	0.039	2	109.3260	3.119	5	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[4x6]	C[6,6]	N[6,6]	4:3:2:4:	4:3:1:	4:3:	C[3x6]-4:C[6,6]-3:N[6,6]-2:C[6]-4:	C[4x6]-4:N[5,6,6]-3:O-1:	C[4x6]-4:C[6,6]-3:	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(C[6]C[6]HH)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(C[6]C[6]HH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	108.4680	0.132	2	108.4680	0.017	2	108.4680	0.017	2	108.4680	0.017	2	108.1047	0.405	3	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[4x6]	C[6,6]	N[6,6]	4:3:4:2:	4:3:1:	4:3:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6,6]-2:	C[4x6]-4:N[5,6,6]-3:O-1:	C[4x6]-4:C[6,6]-3:	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[6,6a]HH)(N[6,6]C[6,6])	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[6,6a]HH)(N[6,6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	108.1047	0.405	3	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6,6]	C[6]	N[6]	4:4:2:3:	4:2:1:	3:4:	C[6]-4:C[6]-4:N[6]-2:C[6]-3:	C[6,6]-4:O[6]-2:O-1:	C[3x6]-3:C[6,6]-4:	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[3x6])(C[6]O[6]O)	C[6](C[6,6]C[6]2N[6])(O[6]C[3x6])(O)	N[6](C[3x6]C[3x6]C[6,6])(C[6,6]C[6]3)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[3x6])(C[6]O[6]O){3|H<1>,4|C<4>}	C[6](C[6,6]C[6]2N[6])(O[6]C[3x6])(O){1|C<3>,3|H<1>,5|C<4>}	N[6](C[3x6]C[3x6]C[6,6])(C[6,6]C[6]3){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	115.4750	0.000	1	115.4750	0.000	1	115.4750	0.000	1	115.4750	0.000	1	113.1977	3.941	3	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6,6]	C[6]	N[6]	4:4:3:2:	4:2:2:	4:3:	C[6]-4:C[6]-4:C[6]-3:N[6]-2:	C[6,6]-4:N[6]-2:O-2:	C[6,6]-4:C[6]-3:	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)(N[6]C[6])	C[6](C[6,6]C[6]2N[6])(N[6]C[6])(OC)	N[6](C[6,6]C[6]3)(C[6]C[6]O)	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)(N[6]C[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6]2N[6])(N[6]C[6])(OC){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6]C[6]3)(C[6]C[6]O){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	112.0590	0.320	2	112.0590	0.102	2	112.0590	0.102	2	112.0590	0.102	2	113.1977	3.941	3	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:1:1:	2:4:1:	3:4:	N[6]-2:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(H)2	C[6](O[6]C[5,6,6])(C[6]N[6]HH)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(H)2{2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]HH)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	113.4630	0.000	1	113.4630	0.000	1	113.4630	0.000	1	113.4630	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:1:1:	3:4:1:	3:4:	N[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C[6a])(C[6]N[6]HH)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](N[6]C[6,6])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[6a])(C[6]N[6]HH)(H){1|C<4>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	116.7500	0.000	1	116.7500	0.000	1	116.7500	0.000	1	116.7500	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	111.7670	4.163	2	111.7670	17.334	2	113.7657	4.964	29	113.7657	4.964	29	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	113.7625	0.438	2	113.7625	0.192	2	113.7657	4.964	29	113.7657	4.964	29	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	113.7920	0.000	1	111.5487	4.104	7	113.7657	4.964	29	113.7657	4.964	29	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	111.1748	1.936	6	111.5487	4.104	7	113.7657	4.964	29	113.7657	4.964	29	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6]HO)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6]HO)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	114.9940	0.000	1	114.9940	0.000	1	113.7657	4.964	29	113.7657	4.964	29	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	116.0680	0.000	1	115.1602	0.429	5	113.7657	4.964	29	113.7657	4.964	29	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	114.9333	0.479	4	115.1602	0.429	5	113.7657	4.964	29	113.7657	4.964	29	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	110.1680	0.000	1	110.1680	0.000	1	113.7657	4.964	29	113.7657	4.964	29	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	115.5630	0.624	2	115.7278	0.166	4	113.7657	4.964	29	113.7657	4.964	29	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	115.8925	0.011	2	115.7278	0.166	4	113.7657	4.964	29	113.7657	4.964	29	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	113.5775	0.330	2	114.7760	0.921	7	113.7657	4.964	29	113.7657	4.964	29	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	115.2554	0.590	5	114.7760	0.921	7	113.7657	4.964	29	113.7657	4.964	29	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	4:2:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[3x6]-3:C[6]-4:	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H)	C[6](C[6]N[6]CH)(O[6]C[3x6])(O)	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]CH)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C[6](C[6]N[6]CH)(O[6]C[3x6])(O){1|C<3>,2|C<4>}	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	111.5400	2.756	2	111.5400	7.597	2	112.1890	5.062	3	113.5258	10.522	4	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	4:2:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[3x6]-3:C[6]-4:	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCO)(H)	C[6](C[6]N[6]CH)(O[6]C[3x6])(O)	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]CH)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCO)(H){2|C<4>}	C[6](C[6]N[6]CH)(O[6]C[3x6])(O){1|C<3>,2|C<4>}	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	113.4870	0.000	1	113.4870	0.000	1	112.1890	5.062	3	113.5258	10.522	4	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:1:	4:2:1:	3:4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6,6])(O)	N[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]CH)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(H){2|C<4>}	C[6](C[6]N[6]CH)(O[6]C[6,6])(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	113.5258	10.522	4	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:4:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(CH3)	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	111.4120	0.000	1	111.4120	0.000	1	113.5677	4.508	3	113.5677	4.508	3	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:4:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	113.6340	0.000	1	113.6340	0.000	1	113.5677	4.508	3	113.5677	4.508	3	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:4:	2:4:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	O[6]-2:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)2	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)2{2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CC)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	115.6570	0.000	1	115.6570	0.000	1	113.5677	4.508	3	113.5677	4.508	3	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:4:	4:2:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3)	C[6](C[6]N[6]CC)(O[6]C[6,6])(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C[6](C[6]N[6]CC)(O[6]C[6,6])(O){1|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	115.1263	0.259	3	115.1263	0.067	3	115.6054	0.321	7	115.6054	0.321	7	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:4:	4:2:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[5a]HH)(CH3)	C[6](C[6]N[6]CC)(O[6]C[6,6])(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[5a]HH)(CH3){2|C<4>}	C[6](C[6]N[6]CC)(O[6]C[6,6])(O){1|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	115.7925	0.426	2	115.7925	0.182	2	115.6054	0.321	7	115.6054	0.321	7	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	2:3:4:4:	4:2:1:	3:4:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C[6](C[6]N[6]CC)(O[6]C[6,6])(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C[6](C[6]N[6]CC)(O[6]C[6,6])(O){1|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	116.1370	0.535	2	116.1370	0.286	2	115.6054	0.321	7	115.6054	0.321	7	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:1:1:	3:4:1:	3:4:	C[6]-3:N[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[6]N[5,6]O)(N[6]C[6])(H)2{1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.1320	0.000	1	116.1320	0.000	1	116.1320	0.000	1	116.1320	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:1:1:	3:4:2:	4:4:	C[6]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	S[6]-4:C[6]-4:	C[6](C[6]C[6,6a]N)(N[6]S[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN)	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)	C[6](C[6]C[6,6a]N)(N[6]S[6])(H)2{2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN){1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH){1|N<2>,2|C<3>}	115.8660	0.000	1	115.8660	0.000	1	115.8660	0.000	1	115.8660	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:1:1:	4:3:1:	4:3:	C[6]-3:N[6]-2:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	114.8005	0.549	2	114.8005	0.302	2	114.8005	0.302	2	114.8005	0.302	2	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:3:1:	4:3:1:	3:4:	C[6]-3:N[6]-2:N-3:H-1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:	C[6](C[6]C[6]H)(N[6]N[6])(NCH)(H)	C[6](C[6]N[6]HN)(C[6]C[6]H)(H)	N[6](N[6]C[6a]C[6])(C[6]C[6]HN)	C[6](C[6]C[6]H)(N[6]N[6])(NCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HN)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]HN){1|N<2>,2|C<3>,3|H<1>}	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:3:1:	4:3:3:	3:4:	C[6a]-3:N[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]C)(COO)	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]C)(COO){4|C<3>}	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H){6|C<3>}	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:3:2:	3:4:1:	4:4:	C[6]-3:N[6]-2:C-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	S[6]-4:C[6]-4:	C[6](C[6]C[6,6a]O)(N[6]S[6])(COO)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CO)(O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]CO)	C[6](C[6]C[6,6a]O)(N[6]S[6])(COO)(OH){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CO)(O){1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]CO){1|O<1>,2|C<3>}	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:3:4:	3:4:1:	3:4:	C[6a]-3:N[6]-2:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|N<2>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|H<1>,2|N<2>,4|C<3>}	107.5410	0.000	1	107.5410	0.000	1	107.5410	0.000	1	107.5410	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:4:1:	4:2:2:	3:4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-3:C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH){1|C<4>,1|N<2>,2|O<2>}	113.5850	0.000	1	113.3910	0.032	3	113.2280	0.084	5	113.2280	0.084	5	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:4:1:	4:2:2:	3:4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-3:C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC){1|C<3>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<4>}	113.2940	0.091	2	113.3910	0.032	3	113.2280	0.084	5	113.2280	0.084	5	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:4:1:	4:2:2:	3:4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-3:C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6,6])(OC)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6,6])(OC){1|C<3>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<4>}	112.9835	0.268	2	112.9835	0.072	2	113.2280	0.084	5	113.2280	0.084	5	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:4:1:	4:2:2:	4:3:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	112.9157	0.200	3	112.8582	0.227	5	112.9057	0.158	7	112.9057	0.158	7	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:4:1:	4:2:2:	4:3:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	112.7720	0.895	2	112.8582	0.227	5	112.9057	0.158	7	112.9057	0.158	7	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:4:1:	4:2:2:	4:3:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6])(CC[3]HO)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6])(CC[3]HO)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	112.9880	0.000	1	112.9880	0.000	1	112.9057	0.158	7	112.9057	0.158	7	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:4:1:	4:2:2:	4:3:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6])(CC[6]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6])(CC[6]HH)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	113.0610	0.000	1	113.0610	0.000	1	112.9057	0.158	7	112.9057	0.158	7	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:4:4:	3:4:1:	3:4:	C[6]-3:N[6]-2:C-4:C-4:	C[5a,6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:	C[6](C[6]C[5a,6]O)(N[6]C[6])(CH3)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]CC)(O)	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]CC)	C[6](C[6]C[5a,6]O)(N[6]C[6])(CH3)2{3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]CC)(O){1|N<3>,3|C<3>}	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]CC){1|N<3>,1|O<1>,3|C<3>}	119.6070	0.000	1	119.6070	0.000	1	119.6070	0.000	1	119.6070	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:4:4:	3:4:2:	3:4:	C[6]-3:N[6]-2:C-4:C-4:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-3:C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]C[6])(CH3)2	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(N[6]N[6])	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)	C[6](C[6]C[6a]N[6])(N[6]C[6])(CH3)2{1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(N[6]N[6]){3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]CC){1|H<1>,1|N<2>,3|C<3>}	108.2915	0.432	2	108.2915	0.187	2	108.2915	0.187	2	108.2915	0.187	2	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:2:4:4:	4:2:1:	4:3:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:O[6]-2:O-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(N[6]C[6])(CC[6]CH)(CH3)	C[6](C[6]N[6]CC)(O[6]C[6])(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]O[6]O)(N[6]C[6])(CC[6]CH)(CH3){1|C<4>,1|O<2>}	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	115.6795	0.064	2	115.6795	0.004	2	115.6795	0.004	2	115.6795	0.004	2	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:1:	4:2:2:	4:3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(OC)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(OC){1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	113.4420	0.181	3	113.4420	0.033	3	113.4420	0.033	3	113.4420	0.033	3	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:1:	4:3:2:	3:4:	C[6]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]N[6,6])	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])(H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]N[6,6]){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6]H){1|C<4>,1|N<2>,5|C<3>}	110.7990	0.000	1	110.7990	0.000	1	110.7990	0.000	1	110.7990	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){1|H<1>,4|C<3>}	108.6730	0.000	1	110.6580	7.880	2	110.1383	4.750	3	110.1383	4.750	3	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){1|H<1>,4|C<3>}	112.6430	0.000	1	110.6580	7.880	2	110.1383	4.750	3	110.1383	4.750	3	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|N<2>,1|S<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){4|C<3>}	109.0990	0.000	1	109.0990	0.000	1	110.1383	4.750	3	110.1383	4.750	3	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:4:	4:3:2:	4:3:	C[6]-3:C[6a]-3:N[6]-2:C-4:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3)	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]N[6])	N[6](C[6]C[6a]C[6]C)(C[6]N[6]Cl)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3){1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]N[6]){3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]C)(C[6]N[6]Cl){1|H<1>,1|N<2>,3|C<3>}	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:4:2:1:	3:4:1:	4:4:	C[6]-3:C-4:N[6]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:	C[6](C[6]N[5,6]O)(CC[6a]HH)(N[6]C[6])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)	C[6](C[6]N[5,6]O)(CC[6a]HH)(N[6]C[6])(H){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	109.6650	0.000	1	109.6650	0.000	1	109.6650	0.000	1	109.6650	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:4:2:1:	4:2:2:	4:3:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[6a]CH)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	114.2370	0.000	1	114.2370	0.000	1	113.4601	0.344	8	113.4601	0.344	8	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:4:2:1:	4:2:2:	4:3:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	113.4167	0.552	6	113.4167	0.305	6	113.4601	0.344	8	113.4601	0.344	8	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:4:2:1:	4:2:2:	4:3:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	112.9440	0.000	1	112.9440	0.000	1	113.4601	0.344	8	113.4601	0.344	8	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:4:2:1:	4:3:1:	4:3:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H){1|O<2>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.5000	0.000	1	117.5000	0.000	1	117.5000	0.000	1	117.5000	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:4:2:4:	4:2:1:	3:4:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	C[6]-3:C[6]-4:	C[6](C[6]O[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C[6](C[6]N[6]CC)(O[6]C[6])(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]O[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<3>,1|C<4>}	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,2|C<4>}	N[6](C[6]C[6a]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	115.9490	0.000	1	115.9490	0.000	1	115.9490	0.000	1	115.9490	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:4:2:4:	4:2:1:	4:3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(CC[6a]CH)(N[6]C[6])(CH3)	C[6](C[6]N[6]CC)(O[6]C[6])(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]O[6]O)(CC[6a]CH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	115.8635	0.112	2	115.8635	0.013	2	115.9880	0.084	4	115.9758	0.064	5	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:4:2:4:	4:2:1:	4:3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3)	C[6](C[6]N[6]CC)(O[6]C[6])(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C[6](C[6]N[6]CC)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	116.1125	0.422	2	116.1125	0.178	2	115.9880	0.084	4	115.9758	0.064	5	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:4:2:4:	4:2:1:	4:3:	C[6]-3:C-4:N[6]-2:O-4:	C[6]-4:O[6]-2:O-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3)	C[6](C[6]N[6]CO)(O[6]C[6])(O)	N[6](C[6]C[6]CO)(C[6]C[6]O)	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3){1|C<4>,1|O<2>}	C[6](C[6]N[6]CO)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CO)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	115.9270	0.000	1	115.9270	0.000	1	115.9270	0.000	1	115.9758	0.064	5	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:4:2:4:	4:2:2:	4:3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:N[6]-2:O-2:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C[6](C[6]N[6]CC)(N[6]C[6])(OC)	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C[6](C[6]N[6]CC)(N[6]C[6])(OC){1|C<3>,2|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	112.1545	0.182	2	112.1545	0.033	2	112.1545	0.033	2	112.1545	0.033	2	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	3:4:2:4:	4:3:1:	4:3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3)	C[6](C[6]N[6]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3){1|O<2>,2|C<4>}	C[6](C[6]N[6]CC)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	115.9180	0.000	1	115.9180	0.000	1	115.9180	0.000	1	115.9180	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	4:3:2:1:	4:3:1:	4:3:	C[6]-4:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)	N[6](C[6]C[6]2H)(C[6]C[6]O)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]2H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	4:3:2:1:	4:3:2:	4:3:	C[4]-4:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:C[6]-3:	C[6](C[4]C[4]S[4]H)(C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6]C[4]N[6]H)(C[6a]C[6a]2)(N[6]N[6])	N[6](C[6]C[4]C[6]H)(C[6]C[6a]N[6])	C[6](C[4]C[4]S[4]H)(C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[4]N[6]H)(C[6a]C[6a]2)(N[6]N[6]){1|S<2>,4|C<3>,4|H<1>}	N[6](C[6]C[4]C[6]H)(C[6]C[6a]N[6]){1|S<2>,2|H<1>,2|N<2>,3|C<3>}	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	4:3:2:4:	4:2:1:	4:3:	C[6]-4:C[6]-3:N[6]-2:C-4:	C[6]-4:O[6]-2:O-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]2H)(C[6]O[6]O)(N[6]C[6])(CH3)	C[6](C[6]C[6]N[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]2C)(C[6]C[6]O)	C[6](C[6]C[6]2H)(C[6]O[6]O)(N[6]C[6])(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]C)(O[6]C[6])(O){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6]2C)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	115.4410	0.000	1	115.4410	0.000	1	115.4410	0.000	1	115.4410	0.000	1	113.5611	5.701	102	113.2192	6.814	113
466	762	914	6:SP3_SP2_SP2	C[6]	C[6]	N[6]	4:3:2:4:	4:2:2:	4:3:	C[5]-4:C[6]-3:N[6]-2:C-4:	C[6]-4:N[6]-2:O-2:	C[6]-4:C[6]-3:	C[6](C[5]C[5,6]O[5]H)(C[6]N[6]O)(N[6]C[6])(CCHH)	C[6](C[6]C[5]N[6]C)(N[6]C[6])(OC)	N[6](C[6]C[5]C[6]C)(C[6]C[6]O)	C[6](C[5]C[5,6]O[5]H)(C[6]N[6]O)(N[6]C[6])(CCHH){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6]C)(N[6]C[6])(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5]C[6]C)(C[6]C[6]O){1|N<2>,2|C<4>,2|H<1>,2|O<2>}	111.2370	1.694	2	111.2370	2.870	2	111.2370	2.870	2	111.2370	2.870	2	113.5611	5.701	102	113.2192	6.814	113
466	762	921	0:SP3_SP2_SP3	C[6]	C[6]	Se	3:4:3:2:	3:4:1:	4:2:	C[6]-3:C[6]-4:C-3:Se-2:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:C-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(SeC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeC)(O)	Se(C[6]C[6]2C)(CN)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(SeC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeC)(O){1|C<4>,2|C<3>,3|H<1>}	Se(C[6]C[6]2C)(CN)	103.9160	0.956	2	103.9160	0.914	2	103.9160	0.914	2	103.9160	0.914	2	104.2413	0.775	3	104.2413	0.775	3
466	762	921	0:SP3_SP2_SP3	C[6]	C[6]	Se	4:3:2:1:	4:3:1:	4:3:	C[6,6]-4:C[6]-3:Se-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SeC[6a])(H)	C[6](C[6]C[6,6]SeH)(C[6]C[6]H)(O)	Se(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SeC[6a])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]SeH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	Se(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	104.8920	0.000	1	104.8920	0.000	1	104.8920	0.000	1	104.8920	0.000	1	104.2413	0.775	3	104.2413	0.775	3
466	762	922	0:SP3_SP2_SP3	C[6]	C[6]	S[6]	3:3:2:1:	4:4:3:	4:4:1:	C[6]-3:S[6]-3:S[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]2)(S[6]C[6]O)(S[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]S[6]2H)(C[6]C[6]H)	S[6](C[6]C[6]S[6]H)(C[6]C[6]HH)(O)	C[6](C[6]C[6]2)(S[6]C[6]O)(S[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]2H)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	S[6](C[6]C[6]S[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1
466	762	922	6:SP3_SP2_SP3	C[6]	C[6,6]	S[6]	3:3:1:1:	3:4:4:	4:2:1:	C[6,6]-3:S[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6,6]C[6,6]C[6])(S[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]S[6]HH)	S[6](C[6]C[6,6]HH)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(S[6]O[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]S[6]HH){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	S[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	110.6880	0.000	1	110.6880	0.000	1	110.6880	0.000	1	110.6880	0.000	1	110.6880	0.000	1	112.0020	5.156	6
466	762	922	6:SP3_SP2_SP3	C[6]	C[6]	S[6]	3:3:1:1:	3:4:1:	3:4:1:	S[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](S[6]C[6,6a]O)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6](S[6]C[6,6a]O)(C[6]N[6]O)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){1|O<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1	112.2648	5.928	5	112.0020	5.156	6
466	762	922	6:SP3_SP2_SP3	C[6]	C[6]	S[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	S[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	S[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	114.0930	0.000	1	114.0930	0.000	1	114.8365	1.106	2	114.8365	1.106	2	112.2648	5.928	5	112.0020	5.156	6
466	762	922	6:SP3_SP2_SP3	C[6]	C[6]	S[6]	3:3:1:1:	4:3:1:	4:3:1:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	S[6](C[6]C[6]HH)(N[6]C[6]S)(O)	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	S[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	115.5800	0.000	1	115.5800	0.000	1	114.8365	1.106	2	114.8365	1.106	2	112.2648	5.928	5	112.0020	5.156	6
466	762	922	6:SP3_SP2_SP3	C[6]	C[6]	S[6]	3:3:1:1:	4:3:1:	4:4:4:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]N[6]O)(S[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]C)(O)	S[6](C[6]C[6]HH)2(CCHH)	C[6](C[6]N[6]O)(S[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	S[6](C[6]C[6]HH)2(CCHH){1|N<3>,1|O<1>,2|H<1>}	110.3810	0.000	1	110.3810	0.000	1	110.3810	0.000	1	110.3810	0.000	1	112.2648	5.928	5	112.0020	5.156	6
466	762	922	6:SP3_SP2_SP3	C[6]	C[6]	S[6]	3:3:4:1:	4:3:1:	4:3:1:	C[6]-3:S[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]H)(S[6]N[6]O)(CH3)(H)	C[6](C[6]S[6]CH)(C[6]C[6]H)(H)	S[6](C[6]C[6]CH)(N[6]C[6]S)(O)	C[6](C[6]C[6]H)(S[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]S[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	S[6](C[6]C[6]CH)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	112.2648	5.928	5	112.0020	5.156	6
466	762	924	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	Br	3:4:3:1:	4:3:1:	4:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(Br)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]Br)(C[6,6]C[3x6]H)(H)	Br(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(Br){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]Br)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Br(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])	112.9750	0.000	1	112.9750	0.000	1	112.9750	0.000	1	112.9750	0.000	1	111.4480	1.707	8	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	Br	4:3:3:1:	4:2:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:Br-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(O[6,6]C[3x6])(O)	Br(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(O[6,6]C[3x6])(O){1|C<3>,2|H<1>,3|C<4>}	Br(C[3x6]C[5,6,6]C[6,6]2)	110.2730	0.000	1	110.2730	0.000	1	110.2730	0.000	1	109.6230	0.845	2	111.4480	1.707	8	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	Br	4:3:3:1:	4:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Br-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br)	C[6,6](C[3x6]C[6,6]2Br)(O[6,6]C[4x6])(O)	Br(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br){2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2Br)(O[6,6]C[4x6])(O){1|H<1>,2|C<3>,3|C<4>}	Br(C[3x6]C[6,6]3)	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	109.6230	0.845	2	111.4480	1.707	8	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	Br	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]C)(H)	Br(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	Br(C[3x6]C[5,6,6]C[6,6]2)	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	111.7305	0.014	2	111.4480	1.707	8	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	Br	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br)	C[6,6](C[3x6]C[6,6]2Br)(C[6,6]C[4x6]H)(H)	Br(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br){2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2Br)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	Br(C[3x6]C[6,6]3)	111.6460	0.000	1	111.6460	0.000	1	111.6460	0.000	1	111.7305	0.014	2	111.4480	1.707	8	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	Br	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]H)(H)	Br(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]H)(H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	Br(C[3x6]C[5,6,6]C[6,6]2)	112.6540	0.000	1	111.9673	0.562	3	111.9673	0.562	3	111.9673	0.562	3	111.4480	1.707	8	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	Br	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]H)(H)	Br(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]H)(Br){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]H)(H){1|Br<1>,3|C<4>,3|H<1>}	Br(C[3x6]C[5,6,6]C[6,6]2)	111.6240	0.646	2	111.9673	0.562	3	111.9673	0.562	3	111.9673	0.562	3	111.4480	1.707	8	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	Br	4:4:3:1:	4:2:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:Br-1:	C[4x6]-4:O[6,6]-2:O-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]O[6,6]O)(Br)	C[6,6](C[4x6]C[3x6]C[4x6]Br)(O[6,6]C[3x6])(O)	Br(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]O[6]H)(C[6,6]O[6,6]O)(Br){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]Br)(O[6,6]C[3x6])(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	Br(C[4x6]C[3x6]C[4x6]C[6,6])	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6,6]	C[6]	Br	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:Br-1:	C[6,6]-4:C[3,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[3,6]O)(C[6]C[6]HO)(Br)	C[6](C[6,6]C[6,6]C[6]Br)(C[3,6]C[3,6]O[3]H)(O)	Br(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[3,6]O)(C[6]C[6]HO)(Br){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]Br)(C[3,6]C[3,6]O[3]H)(O){2|C<4>,2|O<2>,3|H<1>}	Br(C[6,6]C[6,6]C[6]2)	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	106.5355	10.611	4	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6,6]	C[6]	Br	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:Br-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2Br)(O)	Br(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(Br){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2Br)(O){1|C<4>,3|H<1>,5|C<3>}	Br(C[6,6]C[6,6]2C[6])	101.6740	0.000	1	101.6740	0.000	1	101.6740	0.000	1	101.6740	0.000	1	106.5355	10.611	4	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6,6]	C[6]	Br	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:Br-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(Br)	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HH)(O)	Br(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(Br){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	Br(C[6,6]C[6,6]C[6]2)	107.9250	0.004	2	107.9250	0.000	2	107.9250	0.000	2	107.9250	0.000	2	106.5355	10.611	4	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	3:2:4:1:	4:2:1:	4:	C[6]-3:O[6]-2:C-4:Br-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(Br)	C[6](C[6]O[6]BrC)(O[6]C[6])(O)	Br(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(Br){1|C<4>,1|O<1>}	C[6](C[6]O[6]BrC)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	Br(C[6]C[6]O[6]C)	104.9420	0.000	1	104.9420	0.000	1	104.9420	0.000	1	104.9420	0.000	1	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:Br-1:Br-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)2(Br)2	C[6](C[6]C[6]Br2)(N[6]C[6]H)(O)	Br(C[6]C[6]2Br)	C[6](C[6]N[6]O)2(Br)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]Br2)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	Br(C[6]C[6]2Br)	107.5032	3.181	20	107.5032	10.117	20	107.5032	10.117	20	107.4019	9.826	21	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]O)(N[6]N[6]C)(Br)(H)	C[6](C[6]N[6]BrH)(C[6]C[6]Br)(O)	Br(C[6]C[6]N[6]H)	C[6](C[6]C[6]O)(N[6]N[6]C)(Br)(H){1|Br<1>,2|C<3>}	C[6](C[6]N[6]BrH)(C[6]C[6]Br)(O){1|C<3>,1|H<1>,1|N<3>}	Br(C[6]C[6]N[6]H)	105.3760	0.000	1	105.3760	0.000	1	105.3760	0.000	1	107.4019	9.826	21	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	3:3:4:1:	3:4:1:	4:	C[6]-3:C[6]-3:C-4:Br-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]CH)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O)	Br(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]CH)(Br){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Br(C[6]C[6]2C)	100.3230	0.000	1	100.3230	0.000	1	100.3230	0.000	1	100.3230	0.000	1	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	3:3:4:1:	4:2:1:	4:	C[6]-3:C[6]-3:C-4:Br-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]CH)(Br)	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(O)	Br(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]CH)(Br){2|C<3>}	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(O){1|O<1>,2|C<3>}	Br(C[6]C[6]2C)	101.3090	0.000	1	101.3090	0.000	1	101.3090	0.000	1	101.3090	0.000	1	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:Br-1:Br-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(Br)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]Br2)(O)	Br(C[6]C[6]2Br)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(Br)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]Br2)(O){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	Br(C[6]C[6]2Br)	106.3710	5.716	2	106.3710	32.676	2	106.3710	32.676	2	108.2112	13.325	9	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:Br-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]BrH)(H)	Br(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(Br)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]BrH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	Br(C[6]C[6]2H)	105.4030	0.000	1	105.4030	0.000	1	105.4030	0.000	1	108.2112	13.325	9	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O)	Br(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O){1|C<4>,2|H<1>,3|C<3>}	Br(C[6]C[6]2H)	113.1570	0.000	1	113.1570	0.000	1	109.1240	32.530	2	108.2112	13.325	9	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O)	Br(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(Br)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O){1|O<2>,2|C<3>,3|H<1>}	Br(C[6]C[6]2H)	105.0910	0.000	1	105.0910	0.000	1	109.1240	32.530	2	108.2112	13.325	9	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	3:4:1:1:	3:4:1:	4:	C[6]-3:S[6]-4:Br-1:Br-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(Br)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Br2)(O)	Br(C[6]C[6]S[6]Br)	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(Br)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Br2)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	Br(C[6]C[6]S[6]Br)	109.3770	2.558	4	109.3770	6.544	4	109.3770	6.544	4	108.2112	13.325	9	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	3:4:1:1:	4:3:3:	4:	C[6]-3:C[6]-4:Br-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]H)	Br(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(Br)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<4>,2|C<3>,6|H<1>}	Br(C[6]C[6]2H)	111.2400	0.000	1	111.2400	0.000	1	111.2400	0.000	1	111.2400	0.000	1	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	3:4:1:	4:	C[5,5,6]-4:C[6]-3:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]BrH)(O)	Br(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(Br)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]BrH)(O){1|H<1>,2|C<4>,3|C<3>}	Br(C[6]C[5,5,6]C[6]H)	105.2040	0.000	1	105.2040	0.000	1	105.2040	0.000	1	107.6703	4.613	3	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-3:C[6]-4:Br-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]Br)(Br)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]BrH)(Br)	Br(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]Br)(Br)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]BrH)(Br){2|C<4>,3|H<1>}	Br(C[6]C[6]2H)	108.9035	0.320	2	108.9035	0.103	2	108.9035	0.103	2	107.6703	4.613	3	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(Br)	Br(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(Br){1|C<4>,2|C<3>,2|H<1>}	Br(C[6]C[5,6]C[6]H)	109.2380	0.000	1	109.2380	0.000	1	109.2380	0.000	1	107.7385	4.421	11	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(H)	Br(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	Br(C[6]C[5,6]C[6]H)	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	107.7385	4.421	11	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]H)(O)	Br(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Br)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	Br(C[6]C[5,6]C[6]H)	104.0370	0.536	2	104.0370	0.287	2	104.0370	0.287	2	107.7385	4.421	11	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H)	Br(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	Br(C[6]C[6]2H)	107.7990	0.669	2	107.7990	0.447	2	108.7957	1.949	4	107.7385	4.421	11	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)	Br(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H){1|Br<1>,2|C<4>,2|H<1>}	Br(C[6]C[6]2H)	108.9480	0.000	1	108.9480	0.000	1	108.7957	1.949	4	107.7385	4.421	11	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H)	Br(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(Br)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	Br(C[6]C[6]2H)	110.6370	0.000	1	110.6370	0.000	1	108.7957	1.949	4	107.7385	4.421	11	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6,6]H)(O)	Br(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]BrH)(C[6]C[6,6]H)(O){1|C<3>,1|C<4>,2|H<1>}	Br(C[6]C[6]2H)	106.7280	0.000	1	106.7280	0.000	1	107.8063	0.887	3	107.7385	4.421	11	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6,6]OO)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(O)	Br(C[6]C[6]2H)	C[6](C[6]C[6,6]OO)(C[6]C[6]O)(Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(O){1|C<4>,3|O<2>}	Br(C[6]C[6]2H)	108.3455	0.173	2	108.3455	0.030	2	107.8063	0.887	3	107.7385	4.421	11	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(Br)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]C)(COO)	Br(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(Br)(H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]C)(COO){2|H<1>,3|C<4>}	Br(C[6]C[6,6]C[6]H)	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH)	Br(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	Br(C[6]C[6]2H)	110.3250	0.119	2	110.3250	0.014	2	110.3250	0.014	2	110.3250	0.014	2	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[3x5,6]C[5,6a]H)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[5,6]BrH)2(O)	Br(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3x5,6]C[5,6a]H)(C[6]C[6]O)(Br)(H){1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]BrH)2(O){1|C<4>,2|C<3>,2|H<1>}	Br(C[6]C[5,6]C[6]H)	106.9900	4.216	2	106.9900	17.773	2	106.9900	17.773	2	108.5898	4.879	15	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]BrH)(O)	Br(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Br)(H){1|Br<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]BrH)(C[6]C[6]BrH)(O){2|H<1>,3|C<4>}	Br(C[6]C[6,6]C[6]H)	108.2015	0.040	2	108.2015	0.002	2	108.2015	0.002	2	108.5898	4.879	15	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:Br-1:Br-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(Br)2	C[6](C[6]C[6]Br2)2(O)	Br(C[6]C[6]2Br)	C[6](C[6]C[6]HO)(C[6]C[6]O)(Br)2{2|Br<1>,1|C<4>,2|O<2>}	C[6](C[6]C[6]Br2)2(O){1|C<4>,2|H<1>,2|O<2>}	Br(C[6]C[6]2Br)	107.0883	1.551	4	107.0883	2.407	4	107.0883	2.407	4	108.5898	4.879	15	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]BrH)(O)	Br(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(Br)(H){1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]BrH)(C[6]C[6]BrH)(O){2|H<1>,3|C<4>}	Br(C[6]C[6]2H)	107.9770	0.025	2	107.9770	0.001	2	110.0159	2.440	7	108.5898	4.879	15	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(O)	Br(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	Br(C[6]C[6]2H)	110.8015	1.718	2	110.8015	2.950	2	110.0159	2.440	7	108.5898	4.879	15	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)2(O)	Br(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]BrH)2(O){1|N<3>,4|C<4>}	Br(C[6]C[6]2H)	110.8720	0.000	1	110.8513	0.024	3	110.0159	2.440	7	108.5898	4.879	15	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)2(O)	Br(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)2(O){1|N<3>,4|C<4>}	Br(C[6]C[6]2H)	110.8410	0.218	2	110.8513	0.024	3	110.0159	2.440	7	108.5898	4.879	15	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(Br)(H)	C[6](C[6]C[5,6]BrH)2(CCH)	Br(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]BrH)2(CCH){1|O<2>,2|C<3>,2|H<1>}	Br(C[6]C[5,6]C[6]H)	110.6675	0.630	2	110.6675	0.397	2	110.6675	0.397	2	110.6675	0.397	2	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(COO)(Br)	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O)	Br(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]O)(COO)(Br){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,2|C<4>}	Br(C[6]C[6]2C)	100.6860	0.000	1	100.6860	0.000	1	106.4587	25.158	3	106.4587	25.158	3	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br)	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O)	Br(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O){1|Br<1>,1|C<4>,2|H<1>}	Br(C[6]C[6]2C)	108.9390	0.000	1	109.3450	0.330	2	106.4587	25.158	3	106.4587	25.158	3	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br)	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O)	Br(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O){1|Br<1>,1|C<4>,2|H<1>}	Br(C[6]C[6]2C)	109.7510	0.000	1	109.3450	0.330	2	106.4587	25.158	3	106.4587	25.158	3	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:Br-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Br)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]BrC)(O)	Br(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Br){1|O<2>,1|S<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]BrC)(O){1|H<1>,1|N<3>,3|C<3>}	Br(C[6]C[6]2C)	101.7570	0.000	1	101.7570	0.000	1	101.7570	0.000	1	101.8705	0.026	2	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:Br-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(CH3)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O)	Br(C[6]C[6]2C)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(CH3)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6]C[6]2C)	101.9840	0.000	1	101.9840	0.000	1	101.9840	0.000	1	101.8705	0.026	2	107.6023	9.982	74	107.9264	10.338	87
466	762	924	0:SP3_SP-NON_SP2	C[6]	C[6]	Br	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:Br-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CHHO)(Br)	C[6](C[6]C[6]BrC)(O[6]C[6])(O)	Br(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CHHO)(Br){1|C<3>,2|C<4>}	C[6](C[6]C[6]BrC)(O[6]C[6])(O){1|C<4>,4|H<1>}	Br(C[6]C[6]2C)	103.8270	0.000	1	103.8270	0.000	1	103.8270	0.000	1	103.8270	0.000	1	107.6023	9.982	74	107.9264	10.338	87
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[3x6]	C	4:3:3:3:	4:3:3:	4:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:C-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[6a]-3:O-1:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])(C[6a]C[6a]2)(O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])(C[6a]C[6a]2)(O)	113.5570	0.000	1	113.5570	0.000	1	113.5570	0.000	1	113.5570	0.000	1	113.5570	0.000	1	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	3:3:3:3:	4:3:3:	4:1:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:H-1:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO)	C(C[3x6]C[6,6,6a]2C[6,6])(H)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]2C[6,6])(H)(O)	115.5870	0.000	1	115.5870	0.000	1	115.5870	0.000	1	115.5870	0.000	1	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	3:4:3:3:	4:3:1:	4:4:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C-4:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]H)(H)	C(C[3x6]C[6,6,6a]C[6,6]2)(CH3)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[3x6]C[6,6,6a]C[6,6]2)(CH3)(O)	113.6073	1.300	3	113.6073	1.689	3	113.6073	1.689	3	113.6073	1.689	3	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:3:3:3:	4:2:1:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:O-2:O-1:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(COO)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(O)	C(C[3x6]C[6,6]3)(OC)(O)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(COO){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[3x6]C[6,6]3)(OC)(O)	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:3:3:3:	4:3:1:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O-2:O-1:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(COO)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H)	C(C[3x6]C[6,6]3)(OC)(O)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(COO){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C(C[3x6]C[6,6]3)(OC)(O)	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:3:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6a]-3:O-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	108.6725	0.547	2	108.6725	0.299	2	109.9278	2.228	8	109.8050	2.024	10	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:3:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6a]-3:O-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	109.6290	0.000	1	109.8183	0.603	4	109.9278	2.228	8	109.8050	2.024	10	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:3:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6a]-3:O-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,2|O<1>,5|C<4>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	110.5160	0.000	1	109.8183	0.603	4	109.9278	2.228	8	109.8050	2.024	10	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:3:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6a]-3:O-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	109.5640	1.076	2	109.8183	0.603	4	109.9278	2.228	8	109.8050	2.024	10	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:3:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6a]-3:O-1:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	109.6790	0.000	1	111.4020	5.937	2	109.9278	2.228	8	109.8050	2.024	10	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:3:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6a]-3:O-1:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)2(O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(O){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	113.1250	0.000	1	111.4020	5.937	2	109.9278	2.228	8	109.8050	2.024	10	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:3:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[4x6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6a]-3:O-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CC[6a]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2C)(O){2|O<1>,3|H<1>,6|C<4>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	109.3140	1.423	2	109.3140	2.024	2	109.3140	2.024	2	109.8050	2.024	10	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O-2:O-1:	C[3x6](C[3x6]C[5,6,6]O[6]2)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(COO)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[5,3x6]O)(H)	C(C[3x6]C[3x6]C[6,6]2)(OC)(O)	C[3x6](C[3x6]C[5,6,6]O[6]2)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(COO){2|C<4>,2|O<2>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[5,3x6]O)(H){1|Cl<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[3x6]C[3x6]C[6,6]2)(OC)(O)	109.9045	0.330	2	109.9045	0.109	2	110.2820	0.482	3	110.2820	0.482	3	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:O-2:O-1:	C[3x6](C[3x6]C[6,6]O[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(COO)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]O)(H)	C(C[3x6]C[3x6]C[6,6]2)(OC)(O)	C[3x6](C[3x6]C[6,6]O[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(COO){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]O)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[3x6]C[3x6]C[6,6]2)(OC)(O)	111.0370	0.000	1	111.0370	0.000	1	110.2820	0.482	3	110.2820	0.482	3	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:4:3:3:	4:3:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6a]-3:O-1:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H)	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(CC[6a]O){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<2>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(O)	116.5520	0.000	1	116.5520	0.000	1	116.5520	0.000	1	116.5520	0.000	1	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:4:3:3:	4:3:3:	4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C-4:O-1:	C[3x6](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CCO)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(COO)	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(O)	C[3x6](C[5,6,6]C[5,3x6]C[6,6]O[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CCO){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(COO){1|O<2>,3|C<4>,3|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(O)	117.0200	0.000	1	117.0200	0.000	1	117.0200	0.000	1	117.0200	0.000	1	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:4:3:3:	4:3:4:	4:3:1:	C[3x6]-4:C[4x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C-3:H-1:	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]C[6])(CCH)	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C(C[3x6]C[3x6]C[4x6]C[6,6])(CHH)(H)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]C[6])(CCH){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|O<2>,5|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6,6])(CHH)(H)	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:4:3:3:	4:4:1:	4:2:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:O-2:O-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(COO)	C[6,6](C[3x6]C[6,6]2C)2(O)	C(C[3x6]C[6,6]3)(OC)(O)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(COO){2|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6]2C)2(O){2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(OC)(O)	109.5950	0.000	1	109.5950	0.000	1	109.5950	0.000	1	110.6135	2.075	2	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6,6]	C	4:4:3:3:	4:4:1:	4:2:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:O-2:O-1:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(COO)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O)	C(C[3x6]C[6,6]3)(OC)(O)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(COO){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(OC)(O)	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	110.6135	2.075	2	111.4922	8.552	24	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6]	C	4:2:3:3:	4:3:1:	4:4:1:	C[4x6]-4:O[6,6]-2:C[6]-3:C-3:	C[3x6]-4:C[6]-3:Br-1:	C[3x6]-4:C-4:O-1:	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO)	C[6](C[3x6]C[4x6]O[6,6]C)(C[6]C[6]H)(Br)	C(C[3x6]C[4x6]O[6,6]C[6])(CBrHH)(O)	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3x6]C[4x6]O[6,6]C)(C[6]C[6]H)(Br){2|H<1>,4|C<4>}	C(C[3x6]C[4x6]O[6,6]C[6])(CBrHH)(O)	110.3195	2.149	2	110.3195	4.618	2	110.3223	2.309	3	110.3223	2.309	3	110.3223	2.309	3	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[3x6]	C[6]	C	4:2:3:3:	4:3:1:	4:4:1:	C[4x6]-4:O[6,6]-2:C[6]-3:C-3:	C[3x6]-4:C[6]-3:Br-1:	C[3x6]-4:C-4:O-1:	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO)	C[6](C[3x6]C[4x6]O[6,6]C)(C[6]C[6]H)(Br)	C(C[3x6]C[4x6]O[6,6]C[6])(CC[5,5]HH)(O)	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3x6]C[4x6]O[6,6]C)(C[6]C[6]H)(Br){2|H<1>,4|C<4>}	C(C[3x6]C[4x6]O[6,6]C[6])(CC[5,5]HH)(O)	110.3280	0.000	1	110.3280	0.000	1	110.3223	2.309	3	110.3223	2.309	3	110.3223	2.309	3	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:2:4:3:	4:3:3:	4:2:1:	C[6,6]-3:O[6]-2:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(COO)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O)	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(COO){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	110.1510	0.000	1	110.1510	0.000	1	110.1510	0.000	1	110.1510	0.000	1	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:3:4:3:	4:4:1:	4:2:1:	C[5a,6]-3:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2H)(O)	C(C[6,6]C[5a,6]C[6,6]C[6])(OC)(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]C[6]HH)(COO){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5a,6]C[6,6]C[6])(OC)(O)	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:3:4:3:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]CC)(CC[6a]O)	C[6,6](C[6,6]C[6]2C)2(O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]CC)(CC[6a]O){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)2(O){2|H<1>,2|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	109.5377	0.643	3	109.5377	0.414	3	109.5377	0.414	3	109.5377	0.414	3	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:3:4:3:	4:4:1:	4:4:1:	C[5,6]-3:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C-4:O-1:	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2C)(O)	C(C[6,6]C[5,6]C[6,6]C[6])(CCCH)(O)	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(CCCH)(O)	108.9327	0.507	3	108.9327	0.257	3	108.9327	0.257	3	108.9327	0.257	3	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:3:4:3:	4:4:2:	4:2:1:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:N[6]-2:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	106.5670	0.000	1	106.5670	0.000	1	106.5670	0.000	1	106.5670	0.000	1	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:3:4:3:	4:4:3:	4:2:1:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6]2)(C[6]N[5,6]O)(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6]2)(C[6]N[5,6]O)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:3:3:	3:3:4:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]C[6]H)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]C[6]H)(COO){1|O<2>,1|S<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C){1|N<3>,4|H<1>,5|C<3>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:3:3:	4:3:2:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	113.1330	0.000	1	113.1330	0.000	1	113.1330	0.000	1	113.1330	0.000	1	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:3:3:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	109.2870	0.380	2	109.2870	0.145	2	109.2870	0.145	2	109.9570	1.419	3	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:3:3:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O)	C[6,6](C[6,6]C[6]2C)2(O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O){2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	109.9570	1.419	3	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:3:3:	4:4:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C-4:O-1:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O)	C(C[6,6]C[6,6]C[6]2)(CCCH)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCCH)(O)	109.6375	0.837	2	109.6375	0.700	2	109.6375	0.700	2	107.9693	3.944	4	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:3:3:	4:4:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:C-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C[6,6](C[6,6]C[6]2C)2(O)	C(C[6,6]C[6,6]C[6]2)(CCCH)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCCH)(O)	106.3010	0.000	2	106.3010	0.000	2	106.3010	0.000	2	107.9693	3.944	4	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:3:3:	4:4:3:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)(COO)	C[6,6](C[6,6]C[6]2C)2(CHH)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)(COO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(CHH){2|H<1>,2|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	110.1110	0.074	2	110.1110	0.005	2	110.1110	0.005	2	110.1110	0.005	2	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(C[6]N[6]HH)(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])(C[6,6]C[6]2C)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(C[6]N[6]HH)(COO){1|S<4>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])(C[6,6]C[6]2C){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	3:4:2:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6]O[6]HH)(CCH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6,6a])	C(C[6,6]C[6,6]C[6]2)(CC[6a]H)(H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6]O[6]HH)(CCH){4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6,6a]){1|O<2>,4|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(CC[6a]H)(H)	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	3:4:3:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C){6|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	111.1795	2.897	2	111.1795	8.393	2	110.9827	4.313	3	110.2168	3.280	5	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	3:4:3:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]O){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	110.5890	0.000	1	110.5890	0.000	1	110.9827	4.313	3	110.2168	3.280	5	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	3:4:3:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	109.2890	0.000	1	109.2890	0.000	1	109.0680	0.098	2	110.2168	3.280	5	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	3:4:3:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C(C[6,6]C[6,6]C[6]2)(OH)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(COO){3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(OH)(O)	108.8470	0.000	1	108.8470	0.000	1	109.0680	0.098	2	110.2168	3.280	5	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	3:4:4:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C(C[6,6]C[6,6]C[6]2)(OH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]C[6]2)(OH)(O)	110.9980	0.897	2	111.8357	2.507	3	111.8357	2.507	3	111.8357	2.507	3	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	3:4:4:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C(C[6,6]C[6,6]C[6]2)(OH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(COO){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){6|H<1>,7|C<4>}	C(C[6,6]C[6,6]C[6]2)(OH)(O)	113.5110	0.000	1	111.8357	2.507	3	111.8357	2.507	3	111.8357	2.507	3	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	4:4:1:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[4,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[4,6,6]O)(C[6]C[6]HH)2(COO)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6]2C)(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[4,6,6]O)(C[6]C[6]HH)2(COO){2|C<4>,5|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6]2C)(O){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	108.2590	0.000	1	108.2590	0.000	1	108.2590	0.000	1	107.3585	0.432	4	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	4:4:1:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)2(COO)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6]C[6]2C)(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)2(COO){1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6]C[6]2C)(O){1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	107.3585	0.432	4	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	4:4:1:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){2|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	107.1810	0.000	1	107.1810	0.000	1	106.9345	0.122	2	107.3585	0.432	4	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	4:4:1:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO)	C[6,6](C[6,6]C[6]2C)2(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)2(O){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	106.6880	0.000	1	106.6880	0.000	1	106.9345	0.122	2	107.3585	0.432	4	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	4:4:3:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	107.6200	0.000	2	107.6200	0.000	2	107.6200	0.000	2	107.6200	0.000	2	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	113.1840	0.000	1	112.8375	0.240	2	112.6747	0.200	3	112.3792	0.482	4	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){2|O<1>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	112.4910	0.000	1	112.8375	0.240	2	112.6747	0.200	3	112.3792	0.482	4	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C(C[6,6]C[6,6]C[6]2)(CHH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){2|O<1>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(CHH)(H)	112.3490	0.000	1	112.3490	0.000	1	112.6747	0.200	3	112.3792	0.482	4	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	3:4:4:3:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N-3:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(CNO)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]C[6]2)(NCH)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(CNO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(NCH)(O)	111.4930	0.000	1	111.4930	0.000	1	111.4930	0.000	1	112.3792	0.482	4	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:1:	4:4:3:	4:2:1:	C[3x6]-4:C[6,6]-3:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHH)	C(C[6,6]C[3x6]C[6,6]H)(OC[5])(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHH){1|C<3>,1|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OC[5])(O)	112.6035	0.272	2	112.6035	0.074	2	112.6035	0.074	2	112.6035	0.074	2	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:2:	4:4:1:	4:2:1:	C[4,6,6]-4:C[6,6]-3:C-3:O-2:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(COO)(OH)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O)	C(C[6,6]C[4,6,6]C[6,6]O)(OH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(COO)(OH){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O){2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]O)(OH)(O)	110.2770	0.000	1	110.2770	0.000	1	110.2770	0.000	1	110.2770	0.000	1	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:3:	4:4:3:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-3:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C)(C[6]C[6]O)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(CHH)	C(C[6,6]C[6,6]2C[6])(OC)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C)(C[6]C[6]O)(COO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(CHH){2|H<1>,2|O<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(OC)(O)	110.0060	1.088	3	110.0060	1.183	3	110.0060	1.183	3	110.0060	1.183	3	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-3:C-4:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]O)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)(O)	C(C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)(O){1|C<4>,2|C<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]2)(O)	110.6690	0.000	1	110.6690	0.000	1	110.6690	0.000	1	110.6690	0.000	1	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:4:3:	4:3:4:	4:4:1:	C[3x6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:C-4:O-1:	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCO)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C(C[6,6]C[3x6]C[6,6]C[6])(CH3)(O)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCO){4|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(CH3)(O)	105.4830	0.000	1	105.4830	0.000	1	105.4830	0.000	1	105.4830	0.000	1	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(O){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	112.5683	0.488	4	112.5683	0.238	4	109.0147	4.631	31	109.0147	4.631	31	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6]C[6]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)2(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6]C[6]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|Cu<6>,1|N<3>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)2(O){2|C<3>,2|N<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	108.6390	0.033	2	108.6390	0.001	2	109.0147	4.631	31	109.0147	4.631	31	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)2(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|N<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)2(O){2|C<3>,2|N<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	108.7952	1.657	17	108.8050	2.191	23	109.0147	4.631	31	109.0147	4.631	31	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)2(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)2(O){2|C<3>,2|N<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	108.8327	0.924	6	108.8050	2.191	23	109.0147	4.631	31	109.0147	4.631	31	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6]C[6a]P[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)2(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6]C[6a]P[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){1|Pt<4>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)2(O){1|N<3>,1|P<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	104.6945	0.951	2	104.6945	0.905	2	109.0147	4.631	31	109.0147	4.631	31	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:4:3:	4:4:1:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C-4:C-3:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O)	C[6,6](C[6,6]C[5,3x6]CC)(C[3x6]C[6,6]2C)(O)	C(C[6,6]C[5,3x6]C[6,6]C)(C[6a]C[6a]2)(O)	C[6,6](C[5,3x6]C[5,6,6]2O)(C[6,6]C[3x6]O)(CC[5]HH)(CC[6a]O){1|C<3>,6|C<4>}	C[6,6](C[6,6]C[5,3x6]CC)(C[3x6]C[6,6]2C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[5,3x6]C[6,6]C)(C[6a]C[6a]2)(O)	109.2420	0.000	1	109.2420	0.000	1	109.2420	0.000	1	109.2420	0.000	1	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:4:3:	4:4:1:	4:4:1:	C[3x6]-4:C[6,6]-3:C-4:C-3:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6]-4:C-4:O-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)(CCHH)(CCO)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CC)(O)	C(C[6,6]C[3x6]C[6,6]C)(CCHH)(O)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)(CCHH)(CCO){3|H<1>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CC)(O){1|Si<4>,4|H<1>,5|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(CCHH)(O)	113.2360	0.000	2	113.2360	0.000	2	113.2360	0.000	2	113.2360	0.000	2	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:4:3:	4:4:3:	4:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C(C[6,6]C[6,6]2C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)2	107.1600	0.000	1	107.1600	0.000	1	107.1600	0.000	1	107.1600	0.000	1	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:4:3:	4:4:3:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C(C[6,6]C[6,6]2C[6])(OH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(OH)(O)	108.8430	0.000	1	107.9813	3.596	4	107.9813	3.596	4	108.4418	3.757	5	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:4:3:	4:4:3:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C(C[6,6]C[6,6]2C[6])(OH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){5|H<1>,8|C<4>}	C(C[6,6]C[6,6]2C[6])(OH)(O)	109.4210	0.000	1	107.9813	3.596	4	107.9813	3.596	4	108.4418	3.757	5	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:4:3:	4:4:3:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C(C[6,6]C[6,6]2C[6])(OH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(OH)(O)	106.8305	2.307	2	107.9813	3.596	4	107.9813	3.596	4	108.4418	3.757	5	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6,6]	C	4:3:4:3:	4:4:3:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C(C[6,6]C[6,6]2C[6])(OC)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(OC)(O)	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	108.4418	3.757	5	109.4751	4.623	89	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	2:2:3:3:	4:3:1:	4:2:1:	O[6,6]-2:O[6]-2:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](O[6,6]C[6,6])(O[6]C[6,6a])(C[6]C[6]H)(COO)	C[6](C[6,6]O[6,6]O[6]C)(C[6]C[6a]N[6])(H)	C(C[6,6]O[6,6]C[6]O[6])(OC)(O)	C[6,6](O[6,6]C[6,6])(O[6]C[6,6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]O[6,6]O[6]C)(C[6]C[6a]N[6])(H){1|C<4>,1|N<3>,3|C<3>}	C(C[6,6]O[6,6]C[6]O[6])(OC)(O)	112.9450	0.000	1	112.9450	0.000	1	112.9450	0.000	1	112.9450	0.000	1	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	3:3:4:3:	4:3:1:	4:2:1:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6,6]-4:N[5,6]-3:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6]2)(C[6]N[5,6]O)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]C)(N[5,6]C[5,6]C[5])(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6]2)(C[6]N[5,6]O)(C[6]C[6]HH)(COO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	105.0210	0.000	1	105.0210	0.000	1	105.0210	0.000	1	105.0210	0.000	1	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	3:3:4:3:	4:3:3:	4:2:1:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	110.3280	0.000	1	110.3280	0.000	1	110.3280	0.000	1	110.3280	0.000	1	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	3:3:4:3:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[5,6]-4:O-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]CC)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]CC)(CC[6a]O){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,3|H<1>,7|C<4>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	107.2937	1.572	3	107.2937	2.472	3	107.2937	2.472	3	107.2937	2.472	3	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	3:4:3:3:	4:3:1:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]C[6]H)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6])(H)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]C[6]H)(COO){1|O<2>,1|S<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6])(H){1|N<3>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	108.0390	0.000	1	108.0390	0.000	1	108.0390	0.000	1	108.0390	0.000	1	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	3:4:3:3:	4:3:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	106.2745	0.189	2	106.2745	0.036	2	107.7313	6.385	3	107.7313	6.385	3	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	3:4:3:3:	4:3:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	110.6450	0.000	1	110.6450	0.000	1	107.7313	6.385	3	107.7313	6.385	3	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	3:4:3:3:	4:3:1:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C-4:O-1:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O)	C(C[6,6]C[6,6]C[6]2)(CCCH)(O)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCCH)(O)	104.3155	1.654	2	104.3155	2.735	2	104.3155	2.735	2	104.3155	2.735	2	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	3:4:3:3:	4:3:2:	4:4:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C-4:O-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C(C[6,6]C[6,6]C[6]2)(CCCH)(O)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){2|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCCH)(O)	108.1670	0.000	2	108.1670	0.000	2	108.1670	0.000	2	108.1670	0.000	2	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	3:4:3:3:	4:4:1:	4:2:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)(COO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	105.4700	0.035	2	105.4700	0.001	2	105.4700	0.001	2	105.4700	0.001	2	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	3:4:3:3:	4:4:1:	4:3:1:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	107.1030	0.000	1	107.1030	0.000	1	107.1030	0.000	1	107.1030	0.000	1	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:2:3:3:	4:2:1:	4:2:1:	C[6,6]-4:O[6]-2:C[6]-3:C-3:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6a]N[6]H)(O[6]C[6,6a])(C[6]O[6]O)(COO)	C[6](C[6,6]C[6,6]O[6]C)(O[6]C[6,6a])(O)	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	C[6,6](C[6,6]C[6,6a]N[6]H)(O[6]C[6,6a])(C[6]O[6]O)(COO){1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]O[6]C)(O[6]C[6,6a])(O){1|H<1>,1|N<3>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:3:2:3:	4:2:2:	4:3:1:	C[5,6,6]-4:C[6]-3:O[6]-2:C-3:	C[6,6]-4:N[6]-2:O-2:	C[6,6]-4:C-3:H-1:	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH)	C[6](C[6,6]C[5,6,6]O[6]C)(N[6]C[6,6])(OC)	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]O[6]C)(N[6]C[6,6])(OC){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)	106.6330	0.000	1	106.6330	0.000	1	106.6330	0.000	1	106.6330	0.000	1	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:3:3:3:	4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]O)2(CC[6a]O){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|H<1>,1|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	107.2890	0.000	1	107.2890	0.000	1	107.2890	0.000	1	107.2890	0.000	1	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:3:3:3:	4:4:1:	4:2:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CO)(O)	C(C[6,6]C[6,6]2C[6])(OC)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C)(C[6]C[6]O)(COO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CO)(O){1|C<3>,1|O<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(OC)(O)	105.5917	0.316	3	105.5917	0.100	3	105.5917	0.100	3	105.5917	0.100	3	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:3:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]O)2(CC[6a]O){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	107.0580	0.000	1	107.0580	0.000	1	107.0580	0.000	1	107.0580	0.000	1	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:2:1:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(C[6]O[6]O)(COO)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(C[6]O[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(O){1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	109.0630	0.000	1	109.0630	0.000	1	107.1570	7.266	2	107.1570	7.266	2	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:2:1:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6]HH)(C[6]O[6]O)(COO)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6]HH)(C[6]O[6]O)(COO){1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(O){1|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	105.2510	0.000	1	105.2510	0.000	1	107.1570	7.266	2	107.1570	7.266	2	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:3:1:	4:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:H-1:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(O)	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)(O)	107.9560	2.806	2	107.9560	7.873	2	107.9560	7.873	2	107.9560	7.873	2	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[3x6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]N[6]O)(COO)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(O)	C(C[6,6]C[3x6]C[6]2)(OC)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]N[6]O)(COO){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(O){1|N<3>,3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6]2)(OC)(O)	105.8155	0.093	2	105.8155	0.009	2	105.8155	0.009	2	106.1972	7.056	12	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(O)	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(O)	102.2340	0.000	1	102.2340	0.000	1	102.2340	0.000	1	106.1972	7.056	12	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(O)	C(C[6,6]C[5,6,6]C[6]2)(OC)(O)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(O)	105.6220	0.000	1	105.6220	0.000	1	105.6220	0.000	1	106.1972	7.056	12	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	104.3190	0.260	2	104.3190	0.068	2	107.1937	24.825	3	106.1972	7.056	12	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)(COO){1|S<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	112.9430	0.000	1	112.9430	0.000	1	107.1937	24.825	3	106.1972	7.056	12	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(COO){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	107.8570	0.000	1	107.8570	0.000	1	106.6598	1.895	5	106.1972	7.056	12	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	104.6180	0.000	1	104.6180	0.000	1	106.6598	1.895	5	106.1972	7.056	12	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O){1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	105.8680	0.000	1	105.8680	0.000	1	106.6598	1.895	5	106.1972	7.056	12	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	107.4780	0.103	2	107.4780	0.011	2	106.6598	1.895	5	106.1972	7.056	12	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:3:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(O)	110.3370	0.000	1	110.3370	0.000	1	110.3370	0.000	1	110.3370	0.000	1	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:3:1:	4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C-4:O-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C(C[6,6]C[6,6]C[6]2)(CH3)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CCO){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(O)	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:3:2:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	110.7000	0.195	2	110.7000	0.038	2	110.7000	0.038	2	110.7000	0.038	2	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:4:1:	4:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:H-1:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)(O)	107.0690	0.000	1	106.0700	1.996	2	106.0700	1.996	2	106.6725	1.149	4	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:4:1:	4:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:H-1:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|Si<4>,1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)(O)	105.0710	0.000	1	106.0700	1.996	2	106.0700	1.996	2	106.6725	1.149	4	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:4:1:	4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:H-1:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CHO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O)	C(C[6,6]C[6,6]C[6]2)(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CHO){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)(O)	107.2750	0.000	2	107.2750	0.000	2	107.2750	0.000	2	106.6725	1.149	4	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:4:1:	4:2:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C(C[6,6]C[6,6]2C[6])(OC)(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(OC)(O)	107.8200	0.000	1	107.8200	0.000	1	107.2508	6.893	5	107.1767	4.629	7	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:4:1:	4:2:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(O)	C(C[6,6]C[6,6]2C[6])(OC)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(COO){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(O){3|C<3>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(OC)(O)	106.4930	0.484	2	106.4930	0.234	2	107.2508	6.893	5	107.1767	4.629	7	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:4:1:	4:2:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C(C[6,6]C[6,6]2C[6])(OC)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO){1|C<3>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(OC)(O)	111.2890	0.000	1	107.7240	25.418	2	107.2508	6.893	5	107.1767	4.629	7	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:4:1:	4:2:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	C(C[6,6]C[6,6]2C[6])(OC)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(COO){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(OC)(O)	104.1590	0.000	1	107.7240	25.418	2	107.2508	6.893	5	107.1767	4.629	7	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6,6]	C[6]	C	4:4:3:3:	4:4:1:	4:2:1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C(C[6,6]C[6,6]C[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<3>,1|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(O)	106.9915	0.325	2	106.9915	0.105	2	106.9915	0.105	2	107.1767	4.629	7	107.1575	5.387	55	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:2:3:1:	3:3:4:	4:4:3:	C[6,6]-3:O[6]-2:C-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C(C[6]C[6,6]O[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]O[6]H)(CH3)(CHH)	115.0420	0.000	1	115.0420	0.000	1	115.0420	0.000	1	115.0420	0.000	1	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:3:3:1:	3:3:4:	4:4:3:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6,6]C[6]H)(CCHH)(CCH)	112.6930	0.000	1	112.6930	0.000	1	112.6930	0.000	1	112.6930	0.000	1	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:3:3:1:	3:4:3:	4:2:1:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])2(COO)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C(C[6]C[6,6]2H)(OC)(O)	C[6](C[6,6]C[6,6]C[6])2(COO)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]2H)(OC)(O)	110.2685	0.152	2	110.2685	0.023	2	110.2685	0.023	2	109.1545	1.668	4	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:3:3:1:	3:4:3:	4:2:1:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C)	C(C[6]C[6,6]C[6]H)(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(O)	108.1330	0.000	1	108.1330	0.000	1	108.0405	0.017	2	109.1545	1.668	4	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:3:3:1:	3:4:3:	4:2:1:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C(C[6]C[6,6]C[6]H)(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(O)	107.9480	0.000	1	107.9480	0.000	1	108.0405	0.017	2	109.1545	1.668	4	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:3:3:1:	3:4:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6])2(CCH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C(C[6]C[6,6]2H)(CC[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])2(CCH)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]2H)(CC[6a]H)(H)	110.8120	1.465	10	110.8120	2.146	10	110.8120	2.146	10	110.4407	2.708	12	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:3:3:1:	3:4:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6]C[6,6]C[6])2(CC[6a]O)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C(C[6]C[6,6]2H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6])2(CC[6a]O)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]2H)(C[6a]C[6a]2)(O)	108.5845	1.483	2	108.5845	2.199	2	108.5845	2.199	2	110.4407	2.708	12	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br)	C(C[6]C[6,6]C[6]H)(CC[6a]Br)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H){1|Br<1>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6a]Br)(H)	111.9893	1.010	3	111.9893	1.021	3	111.9893	1.021	3	111.9893	1.021	3	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:3:4:3:	3:4:3:	4:2:1:	C[5,6]-3:C[6,6]-3:C-4:C-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O)	C(C[6]C[5,6]C[6,6]C)(OC)(O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[5,6]C[6,6]C)(OC)(O)	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:4:3:1:	3:3:4:	4:4:3:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]CH)	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]CH){1|Cd<5>,1|N<4>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	111.3710	0.000	1	111.3710	0.000	1	111.3710	0.000	1	111.3710	0.000	1	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:4:3:1:	3:4:3:	4:2:1:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:N-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O)	C(C[6]C[6,6]C[6]H)(NC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<2>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(NC)(O)	114.5080	0.000	1	114.5080	0.000	1	114.5080	0.000	1	114.5080	0.000	1	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:4:3:1:	3:4:3:	4:3:1:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:N-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O)	C(C[6]C[6,6]C[6]H)(NCH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O){2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(NCH)(O)	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:4:3:1:	4:3:4:	4:4:1:	C[6,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:C-4:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(CCO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(CCO)(H){1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]O[6])(C[6]C[6]CH){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(O)	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:4:3:1:	4:4:3:	4:4:3:	C[6,6]-3:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C-4:C-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCC)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]H)	C(C[6]C[6,6]C[6]H)(CCHH)(CHH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(CHH)	112.6450	0.000	1	112.6450	0.000	1	112.6450	0.000	1	112.6450	0.000	1	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:4:3:3:	3:4:3:	4:2:1:	C[6,6]-3:C[6]-4:C-3:C-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(COO)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(COO)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(O)	109.6475	3.478	2	109.6475	12.098	2	109.6475	12.098	2	109.6475	12.098	2	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:4:3:3:	3:4:4:	4:2:1:	C[6,6]-3:C[6]-4:C-3:C-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(COO)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(COO)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(O)	109.5620	0.421	2	109.5620	0.178	2	109.5620	0.178	2	109.5620	0.178	2	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:4:4:3:	3:4:4:	4:2:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(O)	110.6090	0.000	1	110.6090	0.000	1	110.4770	5.412	4	110.4770	5.412	4	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:4:4:3:	3:4:4:	4:2:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(O)	107.3880	0.000	1	107.3880	0.000	1	110.4770	5.412	4	110.4770	5.412	4	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:4:4:3:	3:4:4:	4:2:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(O)	110.8820	0.000	1	110.8820	0.000	1	110.4770	5.412	4	110.4770	5.412	4	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:4:4:3:	3:4:4:	4:2:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(O)	113.0290	0.000	1	113.0290	0.000	1	110.4770	5.412	4	110.4770	5.412	4	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:4:4:3:	4:3:4:	4:2:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[4,4,6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:H-2:H-1:	C[6](C[6,6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(CH3)(CHH)	C[6,6](C[4,4,6,6]C[3x4,6]C[3x4]C[3x6])(C[6,6]C[6]2)(C[6]C[6]CC)	C(C[6]C[6,6]C[6]C)(HC)(H)	C[6](C[6,6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(CH3)(CHH){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4,4,6,6]C[3x4,6]C[3x4]C[3x6])(C[6,6]C[6]2)(C[6]C[6]CC){1|C<2>,1|C<3>,2|H<2>,3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]C)(HC)(H)	106.1510	0.000	1	106.1510	0.000	1	106.1510	0.000	1	106.1510	0.000	1	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	3:4:4:3:	4:4:3:	4:2:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[3,6,6]-4:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[6]CC)(C[6]C[6]O)	C(C[6]C[6,6]C[6]C)(OH)(O)	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(O)	112.9400	0.000	1	112.9400	0.000	1	112.9400	0.000	1	112.9400	0.000	1	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6,6]	C	4:3:3:1:	3:4:4:	4:3:1:	C[6,6]-4:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(CC[6a]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH)	C(C[6]C[6,6]2H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(CC[6a]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]2H)(C[6a]C[6a]2)(O)	111.8560	0.086	2	111.8560	0.007	2	111.8560	0.007	2	111.8560	0.007	2	110.8035	4.516	39	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	2:3:3:1:	3:4:1:	4:2:1:	O[6]-2:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(H)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(H){2|C<3>}	C(C[6]C[6]O[6]H)(OC)(O)	109.3120	0.000	1	109.3120	0.000	1	109.3120	0.000	1	109.3120	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	2:3:3:1:	3:4:1:	4:3:1:	O[6]-2:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N-3:O-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CNO)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	C(C[6]C[6]O[6]H)(NHH)(O)	C[6](O[6]C[6,6])(C[6]C[6]H)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(NHH)(O)	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	110.1785	3.372	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	2:3:3:1:	3:4:1:	4:3:1:	S[6]-2:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:O-1:	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]O)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	110.1785	3.372	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	2:3:3:1:	3:4:3:	4:2:1:	O[6]-2:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(COO)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(COO)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(COO){2|C<3>}	C(C[6]C[6]O[6]H)(OC)(O)	112.1750	0.000	1	112.1750	0.000	1	112.1750	0.000	1	112.1750	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	2:3:3:1:	3:4:3:	4:3:1:	O[6]-2:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:N-3:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CNO)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHN)	C(C[6]C[6]O[6]H)(NC[6a]C)(O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CNO)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHN){2|C<3>}	C(C[6]C[6]O[6]H)(NC[6a]C)(O)	113.9150	0.000	1	113.9150	0.000	1	113.9150	0.000	1	113.9150	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	2:3:3:2:	3:4:1:	4:2:1:	O[6]-2:C[6]-3:C-3:O-2:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(OH)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CO)(H)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(OH){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CO)(H){4|C<3>}	C(C[6]C[6]O[6]O)(OC)(O)	115.3230	0.000	1	115.3230	0.000	1	115.3230	0.000	1	115.3230	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	2:3:3:3:	3:4:1:	4:2:1:	O[6]-2:C[6]-3:N-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(NC[6a]H)(COO)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CN)(H)	C(C[6]C[6]O[6]N)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]H)(NC[6a]H)(COO){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CN)(H){4|C<3>}	C(C[6]C[6]O[6]N)(OC)(O)	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	2:3:4:3:	3:4:1:	4:2:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO)	C[6](C[6]C[5a,6]C)(C[6]O[6]CC)(H)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO){3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]O[6]CC)(H){1|C<3>,1|S<2>}	C(C[6]C[6]O[6]C)(OC)(O)	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	2:3:4:3:	3:4:1:	4:3:1:	O[6]-2:C[6]-3:C-4:C-3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH)	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O)	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O){2|C<3>}	C(C[6]C[6]O[6]C)(CCH)(H)	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	2:3:4:3:	3:4:3:	4:2:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(COO)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CC)(COO)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(COO){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CC)(COO){4|C<3>}	C(C[6]C[6]O[6]C)(OC)(O)	112.3650	0.000	1	112.3650	0.000	1	112.3650	0.000	1	112.3650	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	2:3:4:3:	4:4:1:	4:2:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]O[6]CC)(O)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO){2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CC)(C[6]O[6]CC)(O){2|C<3>}	C(C[6]C[6]O[6]C)(OC)(O)	109.1605	0.078	2	109.1605	0.006	2	109.1605	0.006	2	109.1605	0.006	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:2:3:2:	3:4:1:	4:2:1:	C[6]-3:N[6]-2:C-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6])(COO)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CO)(O)	C(C[6]C[6]N[6]O)(OC)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6])(COO)(OH){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CO)(O){1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6]O)(OC)(O)	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:2:3:2:	4:3:1:	4:3:1:	C[6]-3:O[6]-2:C-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:O-1:	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC)	C[6](C[6]O[6]CO)(C[6]C[6]H)(H)	C(C[6]C[6]O[6]O)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]O)(C[6a]C[6a]2)(O)	105.5000	0.000	1	105.5000	0.000	1	105.5000	0.000	1	105.5000	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:2:4:3:	3:4:1:	4:2:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)(COO){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(OC)(O)	110.9040	0.000	1	110.9040	0.000	1	110.9040	0.000	1	110.9040	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:2:4:3:	4:3:1:	4:2:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]H)(O[6]O[6])(CH3)(COO)	C[6](C[6]O[6]CC)(C[6]C[6]C)(H)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](C[6]C[6]H)(O[6]O[6])(CH3)(COO){2|C<4>}	C[6](C[6]O[6]CC)(C[6]C[6]C)(H){1|O<2>,2|H<1>}	C(C[6]C[6]O[6]C)(OC)(O)	111.1590	0.000	1	111.1590	0.000	1	111.1590	0.000	1	111.1590	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:2:4:3:	4:3:1:	4:4:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO)	C[6](C[6]O[6]CC)(C[6]C[6]H)(H)	C(C[6]C[6]O[6]C)(CCHH)(O)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]C)(CCHH)(O)	105.7990	0.000	1	105.7990	0.000	1	105.7990	0.000	1	105.7990	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:2:4:3:	4:4:1:	4:2:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(O){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(OC)(O)	111.8198	1.549	5	111.8198	2.400	5	111.8198	2.400	5	111.8198	2.400	5	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:2:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6]-3:O[6]-2:C-3:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:C[6a]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C)	C[6](C[6]C[6,6a]O[6]C)(N[6]C[6]Ir)(C[6]C[6]H)	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C){1|Ir<8>,1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]O[6]C)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	3:4:1:	4:1:1:	C[6]-3:N[6]-3:C-3:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:H-1:H-1:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	C(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H){1|O<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)2	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	3:4:1:	4:2:1:	C[6]-3:C[6]-3:C-3:Cl-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(COO)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O)	C(C[6]C[6]2Cl)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(COO)(Cl){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O){2|H<1>,3|C<3>}	C(C[6]C[6]2Cl)(OC)(O)	109.1200	0.000	1	109.1200	0.000	1	109.1200	0.000	1	108.2670	1.455	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	3:4:1:	4:2:1:	C[6]-3:C[6]-3:C-3:Cl-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(COO)(Cl)	C[6](C[6]C[6,6a]H)(C[6]C[6]ClC)(H)	C(C[6]C[6]2Cl)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(COO)(Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]ClC)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2Cl)(OC)(O)	107.4140	0.000	1	107.4140	0.000	1	107.4140	0.000	1	108.2670	1.455	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	3:4:1:	4:3:1:	C[6]-3:N[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]CH)(O)	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]CH)(O){1|C<3>,3|C<4>}	C(C[6]C[6]N[6]H)(CHH)(H)	110.8860	0.949	2	110.8860	0.900	2	110.8860	0.900	2	110.8860	0.900	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	3:4:1:	4:3:2:	N[6]-3:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C-3:S-2:	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCS)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O)	C(C[6]C[6]N[6]H)(CCS)(SCo)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCS)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCS)(SCo)	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	3:4:3:	3:4:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]C)2(CC[6a]O)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]C)2(CC[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O){4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	109.2160	0.000	1	109.2160	0.000	1	109.2160	0.000	1	109.2160	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	3:4:3:	4:2:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]C)2(COO)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]C)2(COO)(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O){4|C<3>}	C(C[6]C[6]2H)(OC)(O)	106.6780	0.000	1	106.6780	0.000	1	106.6780	0.000	1	106.6780	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	3:4:3:	4:3:1:	C[6]-3:N[6]-3:C-3:H-1:	N[6]-3:C[6]-4:C-3:	C[6]-4:C-3:H-1:	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(CCH)	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(CCH){1|S<4>,4|C<3>}	C(C[6]C[6]N[6]H)(CCH)(H)	107.2400	0.000	1	107.2400	0.000	1	107.2400	0.000	1	107.2400	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	3:4:4:	3:4:1:	C[6]-3:C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){2|C<4>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	110.0340	0.000	1	110.0340	0.000	1	110.0340	0.000	1	110.2795	0.121	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	3:4:4:	3:4:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3){2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	110.2795	0.121	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	3:4:4:	4:4:3:	C[6]-3:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3)	C(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3){2|C<4>,3|C<3>}	C(C[6]C[6]2H)(CH3)(CCH)	111.9660	0.000	1	111.9660	0.000	1	111.9660	0.000	1	111.5190	0.400	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	3:4:4:	4:4:3:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2H)(CH3)(CCH)	111.0720	0.000	1	111.0720	0.000	1	111.0720	0.000	1	111.5190	0.400	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:2:1:	4:3:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCC)(H)	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	109.7597	0.338	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:2:1:	4:3:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	C(C[6]C[6]N[6]H)(CC[6a]N)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]N)(H)	109.5570	0.655	2	109.5570	0.429	2	109.5570	0.429	2	109.7597	0.338	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:2:1:	4:3:4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:C[6]-3:P-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6]P)(H)	C[6](C[6]C[6,6a]CH)(O[6]N[6])(O)	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(PO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6]P)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]N[6])(O){1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(PO3)	107.2210	0.000	1	107.2210	0.000	1	107.2210	0.000	1	107.2210	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:2:1:	4:4:3:	C[6,6a]-3:C-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:P[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6]P[6])(C[6]O[6]O)(H)	C[6](C[6]C[6,6a]CH)(O[6]N[6])(O)	C(C[6]C[6,6a]C[6]H)(P[6]O[6]2O)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6]P[6])(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]N[6])(O){1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(P[6]O[6]2O)(C[6]C[6]2)	106.7020	0.000	1	106.7020	0.000	1	106.7020	0.000	1	106.7020	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-3:Cl-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)(Cl)	C[6](C[6]C[6,6a]ClC)(C[6]C[6]H)(O)	C(C[6]C[6,6a]C[6]Cl)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)(Cl){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]ClC)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]Cl)(OC)(O)	106.5500	0.000	1	106.5500	0.000	1	106.5500	0.000	1	107.5465	1.986	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:1:	4:2:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	107.5465	1.986	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:1:	4:3:1:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C(C[6]C[6,6]C[6]H)(CC[6a]Br)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H){1|Br<1>,1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6a]Br)(H)	110.2460	1.369	3	110.2460	1.873	3	110.2460	1.873	3	110.9798	4.982	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CCH)(H)	109.7810	0.000	1	109.7810	0.000	1	109.9600	0.064	2	110.9798	4.982	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6a]O[6])(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]2)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H){1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6a]O[6])(H){4|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]2)(H)	110.1390	0.000	1	110.1390	0.000	1	109.9600	0.064	2	110.9798	4.982	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[5]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	C(C[6]C[6,6a]C[6]H)(N[5]C[5,5,6]S[5])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(N[5]C[5,5,6]S[5])(O)	108.9900	0.000	1	108.9900	0.000	1	108.9900	0.000	1	110.9798	4.982	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6]2H)(CBrC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(CBrC)(H)	112.4085	1.322	2	112.4085	1.747	2	111.7908	11.189	4	110.9798	4.982	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6]2H)(CC[4]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2H)(CC[4]C)(H)	115.0650	0.000	1	115.0650	0.000	1	111.7908	11.189	4	110.9798	4.982	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(CCC)(H)	107.2810	0.000	1	107.2810	0.000	1	111.7908	11.189	4	110.9798	4.982	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C(C[6]C[6]2H)(CC[4]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[4]C)(H)	111.3160	0.000	1	111.3160	0.000	1	111.3160	0.000	1	110.9798	4.982	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:1:	4:3:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6]N[6]H)(CC[4]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CC[4]C)(H)	113.6300	0.000	1	113.6300	0.000	1	113.6300	0.000	1	110.9798	4.982	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:1:	4:3:4:	N[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:Si-4:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CSiC)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6]N[6]H)(CAlSi)(SiC3)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CSiC)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6]H)(CAlSi)(SiC3)	113.6155	0.056	2	113.6155	0.003	2	113.6155	0.003	2	113.6155	0.003	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:1:	4:4:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]H)2(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[6]H)2(CCO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(CCHH)(O)	110.7895	3.805	2	110.7895	14.478	2	110.7895	14.478	2	109.4347	12.746	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:1:	4:4:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C-4:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C(C[6]C[6]N[6]H)(CH3)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)(O)	106.7250	0.000	1	106.7250	0.000	1	106.7250	0.000	1	109.4347	12.746	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:2:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	111.5240	1.162	2	111.5240	1.351	2	111.5240	1.351	2	111.5240	1.351	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:3:	3:4:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]C)2(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]C)2(CC[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	110.0640	0.000	1	110.0640	0.000	1	110.0640	0.000	1	110.0640	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:3:	4:1:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CHH)(H)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CHH)(H){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)2	112.6370	0.000	1	112.6370	0.000	1	112.6370	0.000	1	112.6370	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:3:	4:2:1:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO)	C(C[6]C[6,6]C[6]H)(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO){2|C<3>}	C(C[6]C[6,6]C[6]H)(OC)(O)	111.4010	0.000	1	111.7725	0.276	2	111.7725	0.276	2	110.5296	1.854	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:3:	4:2:1:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO)	C(C[6]C[6,6]C[6]H)(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO){2|C<3>}	C(C[6]C[6,6]C[6]H)(OC)(O)	112.1440	0.000	1	111.7725	0.276	2	111.7725	0.276	2	110.5296	1.854	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:3:	4:2:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	C(C[6]C[6,6a]C[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	C(C[6]C[6,6a]C[6]H)(OC)(O)	110.8160	0.000	1	110.2505	0.640	2	110.2505	0.640	2	110.5296	1.854	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:3:	4:2:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	C(C[6]C[6,6a]C[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|O<1>,1|O<2>,3|N<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	C(C[6]C[6,6a]C[6]H)(OC)(O)	109.6850	0.000	1	110.2505	0.640	2	110.2505	0.640	2	110.5296	1.854	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:3:	4:2:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]C)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(CCO)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]C)2(COO)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]C)(CCO){2|C<3>}	C(C[6]C[6]2H)(OC)(O)	108.0090	0.000	1	108.0090	0.000	1	109.8870	2.861	3	110.5296	1.854	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:3:	4:2:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]C)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]C)2(COO)(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO){2|C<3>}	C(C[6]C[6]2H)(OC)(O)	111.2910	0.000	1	110.8260	0.432	2	109.8870	2.861	3	110.5296	1.854	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:3:	4:2:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]C)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]C)2(COO)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO){2|C<3>}	C(C[6]C[6]2H)(OC)(O)	110.3610	0.000	1	110.8260	0.432	2	109.8870	2.861	3	110.5296	1.854	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:3:	4:3:1:	N[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N-3:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CNO)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(COO)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CNO)(H){1|H<1>,4|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(COO){3|C<3>}	C(C[6]C[6]N[6]H)(NCH)(O)	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C-3:N-3:	C[6](C[6]C[6]N)2(CCN)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO)	C(C[6]C[6]2H)(CHN)(NOO)	C[6](C[6]C[6]N)2(CCN)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2H)(CHN)(NOO)	113.6460	0.877	2	113.6460	0.769	2	113.6460	0.769	2	113.6460	0.769	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:3:	4:4:3:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH)	C(C[6]C[6,6]C[6]H)(CCHH)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(CCH)	106.9560	0.000	1	106.9560	0.000	1	106.9560	0.000	1	106.9560	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:3:4:	4:4:3:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H){1|C<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]N[6]H)(CH3)(CHH)	115.2460	1.027	2	115.2460	1.054	2	115.2460	1.054	2	115.2460	1.054	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C(C[6]C[6]2H)(CBrC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CBrC)(H)	111.1625	0.491	2	111.1625	0.242	2	111.1625	0.242	2	116.4015	36.832	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:N-3:S-1:	C[6](C[6]C[6]O)2(CNS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C(C[6]C[6]2H)(NC[6a]H)(S)	C[6](C[6]C[6]O)2(CNS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	C(C[6]C[6]2H)(NC[6a]H)(S)	121.6405	0.682	2	121.6405	0.466	2	121.6405	0.466	2	116.4015	36.832	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:1:	4:4:3:	4:2:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C[3]-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[3]C[6])(N[6]C[6,6a]H)(COO)(H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]CH)(C[3]C[3]2)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[3]C[6])(N[6]C[6,6a]H)(COO)(H){2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]CH)(C[3]C[3]2){1|H<1>,4|C<4>,6|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	115.0430	0.000	1	115.0430	0.000	1	115.0430	0.000	1	115.0430	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:2:	4:3:1:	4:2:1:	C[6]-3:C[6]-3:C-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)(OH){1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2O)(OC)(O)	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	109.4290	11.462	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:2:	4:3:1:	4:2:1:	C[6]-3:N[6]-3:C-3:S-2:	C[6]-4:N[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(SC)	C[6](C[6]N[6]CS)(N[6]C[6]C)(O)	C(C[6]C[6]N[6]S)(OC)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(SC){1|O<1>,2|C<4>}	C[6](C[6]N[6]CS)(N[6]C[6]C)(O){1|C<4>,1|S<2>,2|C<3>}	C(C[6]C[6]N[6]S)(OC)(O)	107.0350	0.000	1	107.0350	0.000	1	107.0350	0.000	1	109.4290	11.462	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:2:	4:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(H)	C(C[6]C[6,6a]C[6]O)(CCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(CCH)(O)	106.7290	0.000	1	106.7290	0.000	1	106.7290	0.000	1	106.7290	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:2:	4:3:3:	4:2:1:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[6a]O[6])(CHO)	C(C[6]C[6,6a]C[6]O)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6a]O[6])(CHO){4|C<3>}	C(C[6]C[6,6a]C[6]O)(OC)(O)	111.5100	0.000	1	111.5100	0.000	1	111.5100	0.000	1	111.5100	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:2:	4:4:1:	4:2:1:	C[6]-3:C[6]-3:C-3:O-2:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)(OH){1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<3>,3|H<1>}	C(C[6]C[6]2O)(OC)(O)	107.1930	0.000	1	107.1930	0.000	1	107.1930	0.000	1	107.1930	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	3:4:1:	4:2:1:	C[6]-3:C[6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O)	C(C[6]C[6a]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O){1|H<1>,6|C<3>}	C(C[6]C[6a]C[6]2)(OC)(O)	106.7622	0.696	6	106.7622	0.485	6	106.7622	0.485	6	106.7622	0.485	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	3:4:1:	4:3:1:	C[6]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(O)	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(O){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	110.0110	0.000	1	110.0110	0.000	1	110.0110	0.000	1	110.0110	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	3:4:3:	4:2:1:	C[6]-3:C[6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6]C)(COO)	C(C[6]C[6a]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6]C)(COO){1|O<1>,1|S<2>,5|C<3>}	C(C[6]C[6a]C[6]2)(OC)(O)	111.1410	0.000	1	111.1410	0.000	1	110.8140	0.249	6	110.8140	0.249	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	3:4:3:	4:2:1:	C[6]-3:C[6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C(C[6]C[6a]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|O<1>,6|C<3>}	C(C[6]C[6a]C[6]2)(OC)(O)	110.7486	0.528	5	110.7486	0.279	5	110.8140	0.249	6	110.8140	0.249	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	4:2:1:	4:2:1:	C[5a]-3:N[6]-3:C[6]-3:C-3:	C[6]-4:O[6]-2:O-1:	C[6]-4:O-2:O-1:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(COO)	C[6](C[6]C[5a]N[6]C)(O[6]C[6,6a])(O)	C(C[6]C[5a]C[6]N[6])(OC)(O)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(COO){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]N[6]C)(O[6]C[6,6a])(O){1|H<1>,4|C<3>}	C(C[6]C[5a]C[6]N[6])(OC)(O)	106.4530	0.000	1	106.4530	0.000	1	106.4530	0.000	1	106.4530	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	4:2:1:	4:4:2:	C[6]-3:C[6]-3:C-3:N-3:	C[6]-4:O[6]-2:O-1:	C[6]-4:C-4:N-2:	C[6](C[6]O[6]O)2(CCN)(NHO)	C[6](C[6]C[6]CN)(O[6]C[6])(O)	C(C[6]C[6]2N)(CH3)(NO)	C[6](C[6]O[6]O)2(CCN)(NHO){1|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2N)(CH3)(NO)	110.6200	0.037	2	110.6200	0.001	2	110.6200	0.001	2	110.6200	0.001	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	4:3:1:	4:2:1:	C[5a,6]-3:C[6]-3:C-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(COO)2	C[6](C[6]C[5a,6]CC)(C[6]O[6]C)(H)	C(C[6]C[5a,6]C[6]C)(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(COO)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]O[6]C)(H){2|C<3>}	C(C[6]C[5a,6]C[6]C)(OC)(O)	109.8180	0.535	2	109.8180	0.286	2	109.8180	0.286	2	109.8180	0.286	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	4:3:1:	4:3:3:	C[6]-3:C[6]-3:C-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6]C[6]2C)(CIrC)(COO)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(CIrC)(COO)	112.2950	0.529	4	112.2950	0.280	4	112.2950	0.280	4	112.2950	0.280	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	4:3:1:	4:4:2:	C[6]-3:C[6]-3:C-3:N-3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C-4:N-2:	C[6](C[6]N[6]O)2(CCN)(NHO)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C(C[6]C[6]2N)(CH3)(NO)	C[6](C[6]N[6]O)2(CCN)(NHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C(C[6]C[6]2N)(CH3)(NO)	108.1138	0.811	4	108.1138	0.658	4	108.1138	0.658	4	108.1138	0.658	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	4:3:2:	4:3:3:	C[6]-3:C[6]-3:C-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(OIr)	C(C[6]C[6]2C)(CIrC)(COO)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(OIr){1|C<3>,2|H<1>}	C(C[6]C[6]2C)(CIrC)(COO)	105.8695	1.362	4	105.8695	1.855	4	105.8695	1.855	4	105.8695	1.855	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	4:3:4:	4:1:1:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6a]C[6]2)(H)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]2)(H)(O)	116.0480	0.276	2	116.0480	0.076	2	116.0480	0.076	2	116.0480	0.076	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	4:4:1:	4:1:1:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:H-1:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C(C[6]C[6a]C[6]2)(H)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(H)(O)	103.3855	0.117	2	103.3855	0.014	2	103.3855	0.014	2	103.3855	0.014	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	4:4:1:	4:2:1:	C[5a,6]-3:C[6]-3:C-3:N-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(COO)(NHO)	C[6](C[6]C[5a,6]CN)(C[6]C[6,6]HH)(O)	C(C[6]C[5a,6]C[6]N)(OC)(O)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(COO)(NHO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CN)(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>}	C(C[6]C[5a,6]C[6]N)(OC)(O)	105.9680	0.000	1	105.9680	0.000	1	105.9680	0.000	1	105.9680	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	4:4:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	C(C[6]C[6a]C[6]2)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	C(C[6]C[6a]C[6]2)(CCH)(H)	108.8190	0.179	4	108.8190	0.032	4	108.8190	0.032	4	108.8190	0.032	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	4:4:3:	4:2:1:	C[6]-3:C[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]C)2(CCO)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]C)2(CCO)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH){1|C<4>,3|C<3>}	C(C[6]C[6]2C)(OC)(O)	111.2630	2.513	2	111.2630	6.315	2	111.2630	6.315	2	111.2630	6.315	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:3:3:	4:4:3:	4:4:1:	C[6]-3:C[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]C)2(CCO)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH)	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]C)2(CCO)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH){1|C<4>,3|C<3>}	C(C[6]C[6]2C)(CH3)(O)	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:4:3:	3:4:1:	4:2:1:	N[6]-3:C[6]-3:C-4:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H)	C(C[6]C[6]N[6]C)(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]C)(OC)(O)	109.8564	1.228	7	109.8564	1.509	7	109.8564	1.509	7	109.8564	1.509	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:4:3:	3:4:1:	4:2:2:	N[6]-3:C[6]-3:C-4:C-3:	N[6]-3:C[6]-4:O-1:	C[6]-4:N-2:S-2:	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS)	C[6](N[6]C[6,6]H)(C[6]N[6]CC)(O)	C(C[6]C[6]N[6]C)(NC[6a])(SC[6])	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS){2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]CC)(O){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(NC[6a])(SC[6])	105.5930	0.000	1	105.5930	0.000	1	105.5930	0.000	1	105.5930	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:4:3:	4:2:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-3:	C[6]-4:O[6]-2:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]O[6]H)(N[6]C[6]H)(CH3)(CNO)	C[6](C[6]N[6]CC)(O[6]C[6])(H)	C(C[6]C[6]N[6]C)(NCH)(O)	C[6](C[6]O[6]H)(N[6]C[6]H)(CH3)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CC)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]C)(NCH)(O)	106.0795	1.136	2	106.0795	1.291	2	106.0795	1.291	2	106.0795	1.291	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:4:3:	4:3:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO)	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	106.3480	4.385	2	106.3480	19.232	2	106.3480	19.232	2	106.7723	10.156	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:4:3:	4:3:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(O)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	106.7723	10.156	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:4:3:	4:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O)	C(C[6]C[6,6a]C[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(CCH)(H)	111.2420	0.300	2	111.2420	0.090	2	111.2420	0.090	2	109.5674	12.099	5	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:4:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]H)2(CH3)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6]H)2(CH3)(CCH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(CCH)(H)	110.0535	4.853	2	110.0535	23.550	2	110.0535	23.550	2	109.5674	12.099	5	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:4:3:	4:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-3:	C[6]-4:N[6]-3:O-1:	C[6]-4:N-3:S-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS)	C[6](C[6]N[6]CC)(N[6]C[6]H)(O)	C(C[6]C[6]N[6]C)(NC[6a]H)(S)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS){1|C<4>,3|H<1>}	C[6](C[6]N[6]CC)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(NC[6a]H)(S)	105.2460	0.000	1	105.2460	0.000	1	105.2460	0.000	1	109.5674	12.099	5	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:4:3:	4:3:1:	4:4:1:	C[5a,6]-3:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[5a,6]CC)(C[6]S[6]H)(H)	C(C[6]C[5a,6]C[6]C)(CH3)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]S[6]H)(H){2|C<3>}	C(C[6]C[5a,6]C[6]C)(CH3)(H)	110.1170	0.000	1	110.1170	0.000	1	110.1170	0.000	1	110.1170	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:4:3:	4:3:2:	4:2:1:	C[5a,6]-3:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-2:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO)	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN)	C(C[6]C[5a,6]C[6]C)(OC)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN){2|C<3>}	C(C[6]C[5a,6]C[6]C)(OC)(O)	108.3410	0.000	1	108.3410	0.000	1	108.3410	0.000	1	108.2690	0.037	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:4:3:	4:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-2:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN){2|C<3>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	108.4150	0.000	1	108.2330	0.066	2	108.2330	0.066	2	108.2690	0.037	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:4:3:	4:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-2:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN){2|C<3>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	108.0510	0.000	1	108.2330	0.066	2	108.2330	0.066	2	108.2690	0.037	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:3:4:3:	4:4:1:	4:1:1:	C[6a]-3:C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:H-1:O-1:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[5,6]O)(C[6]C[6]CC)(CHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]C)(O)	C(C[6]C[6a]C[6]2)(H)(O)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[5,6]O)(C[6]C[6]CC)(CHO){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]C)(O){1|H<1>,1|O<2>,4|C<3>,4|C<4>}	C(C[6]C[6a]C[6]2)(H)(O)	103.6920	0.000	1	103.6920	0.000	1	103.6920	0.000	1	103.6920	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:2:3:	4:2:2:	4:2:1:	C[6]-3:C[6]-4:S[6]-2:C-3:	C[6]-4:C[6]-2:O[6]-2:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]O[6])(C[6]S[6]CH)(S[6]C[6])(COO)	C[6](C[6]C[6]S[6]C)(C[6]C[6])(O[6]C[6])	C(C[6]C[6]2S[6])(OC)(O)	C[6](C[6]C[6]O[6])(C[6]S[6]CH)(S[6]C[6])(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]S[6]C)(C[6]C[6])(O[6]C[6]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C(C[6]C[6]2S[6])(OC)(O)	107.0680	0.000	1	107.0680	0.000	1	107.0680	0.000	1	107.0680	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:3:4:	3:4:1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){3|C<4>,4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	111.5600	0.000	1	111.5600	0.000	1	111.5600	0.000	1	111.5600	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H){5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){3|H<1>,7|C<3>}	C(C[6]C[6]2H)(OC)(O)	111.4030	0.798	4	111.4030	0.637	4	111.4030	0.637	4	111.4030	0.637	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:3:4:	4:4:1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCO)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){3|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6]2H)(CH3)(O)	112.2180	0.000	1	112.2180	0.000	1	112.2180	0.000	1	112.2180	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:1:	4:2:1:	C[6]-3:C[6]-4:C-3:Cl-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O)	C(C[6]C[6]2Cl)(OC[3x6])(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(Cl){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2Cl)(OC[3x6])(O)	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	108.3141	0.873	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:1:	4:2:1:	C[6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(COO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(COO)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(OC)(O)	108.1800	0.000	1	108.1800	0.000	1	108.4740	1.031	4	108.3141	0.873	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:1:	4:2:1:	C[6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(OC)(O)	108.2980	0.000	1	107.9050	0.309	2	108.4740	1.031	4	108.3141	0.873	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:1:	4:2:1:	C[6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(O)	107.5120	0.000	1	107.9050	0.309	2	108.4740	1.031	4	108.3141	0.873	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:1:	4:2:1:	C[6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(OC)(O)	109.9060	0.000	1	109.9060	0.000	1	108.4740	1.031	4	108.3141	0.873	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:1:	4:2:1:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]OO)(COO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]OO)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C(C[6]C[6]2H)(OC)(O)	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	108.3141	0.873	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:1:	4:2:1:	C[6]-3:C[6]-4:C-3:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(COO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(COO)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(OC)(O)	106.9820	0.000	1	106.9820	0.000	1	106.9820	0.000	1	108.3141	0.873	7	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(NCH)(O)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H){1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(NCH)(O)	111.0690	0.000	1	111.0690	0.000	1	112.2003	10.287	3	112.2003	10.287	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(NC[5]H)(O)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(NC[5]H)(O)	109.7120	0.000	1	112.7660	18.654	2	112.2003	10.287	3	112.2003	10.287	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(NC[5]H)(O)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H){1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(NC[5]H)(O)	115.8200	0.000	1	112.7660	18.654	2	112.2003	10.287	3	112.2003	10.287	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:1:	4:3:3:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){3|H<1>,5|C<4>}	C(C[6]C[6]2H)(CHH)(COO)	112.7890	0.160	2	112.7890	0.026	2	112.7890	0.026	2	112.7890	0.026	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:3:	3:4:1:	C[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	110.6090	0.000	1	110.6090	0.000	1	110.6090	0.000	1	110.6090	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:3:	3:4:3:	C[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CSiH)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CSiH)	111.7280	0.000	1	111.7280	0.000	1	111.7280	0.000	1	111.7280	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:3:	4:2:1:	C[6]-3:C[6]-4:C-3:F-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(COO)(F)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]H)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(COO)(F){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2F)(OC)(O)	112.7070	0.000	1	112.7070	0.000	1	112.7070	0.000	1	109.0400	42.115	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:3:	4:2:1:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N-2:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCH)	C(C[6]C[6]2H)(NC)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHN)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(NC)(H)	101.5470	0.000	1	101.5470	0.000	1	101.5470	0.000	1	109.0400	42.115	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:3:	4:2:1:	C[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]HO)(COO)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]H)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]O[6]HO)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]H){2|O<2>,3|C<3>,4|H<1>}	C(C[6]C[6]2H)(OC)(O)	112.8660	0.000	1	112.8660	0.000	1	112.8660	0.000	1	109.0400	42.115	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:3:	4:4:3:	C[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C-4:C-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2H)(CH3)(CHH)	110.5700	0.000	1	110.5700	0.000	1	111.6115	2.169	2	111.6115	2.169	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:3:	4:4:3:	C[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C-4:C-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]N)	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCC)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]N){1|N<3>,2|C<3>,6|H<1>}	C(C[6]C[6]2H)(CH3)(CHH)	112.6530	0.000	1	112.6530	0.000	1	111.6115	2.169	2	111.6115	2.169	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	3:4:4:	4:3:3:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:C-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)	C(C[6]C[6]2H)(CCH)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCH)(COO)	112.4570	0.000	1	112.4570	0.000	1	112.4570	0.000	1	112.4570	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,4|C<4>,5|H<1>}	C(C[6]C[6]2H)(CCC)(H)	118.5275	0.103	2	118.5275	0.011	2	118.5275	0.011	2	118.5275	0.011	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	4:4:1:	4:2:1:	C[6]-3:C[6]-4:C-3:Cl-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)(Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClC)(O)	C(C[6]C[6]2Cl)(OC)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)(Cl){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClC)(O){4|C<4>,4|H<1>}	C(C[6]C[6]2Cl)(OC)(O)	107.8050	0.000	1	107.8050	0.000	1	107.8050	0.000	1	107.8050	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	4:4:1:	4:3:3:	C[6]-3:C[6]-4:C-3:H-1:	C[3,6,6]-4:C[6]-4:O-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CCC)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(CHH)(COO)	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	4:4:3:	3:4:3:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N[6]-3:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CBH)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2){3|C<4>,8|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CBH)	110.1500	0.000	1	110.1500	0.000	1	110.1500	0.000	1	110.1500	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:1:	4:4:3:	4:4:3:	C[6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:C-4:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)	C(C[6]C[6]2H)(CCHH)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH){4|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(CCH)	111.4516	0.711	5	111.4516	0.505	5	111.4516	0.505	5	111.4516	0.505	5	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:2:	3:4:1:	4:2:1:	C[6]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(OC){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2O)(OC)(O)	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	108.4850	4.595	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:2:	3:4:1:	4:2:1:	C[6]-3:C[6]-4:C-3:S-2:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(SC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O)	C(C[6]C[6]2S)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(SC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2S)(OC)(O)	106.1550	0.000	1	106.1550	0.000	1	106.1550	0.000	1	108.4850	4.595	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:2:	3:4:1:	4:2:1:	C[6]-3:C[6]-4:C-3:Se-2:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(SeC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeC)(O)	C(C[6]C[6]2Se)(OC[3x6])(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(SeC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeC)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2Se)(OC[3x6])(O)	108.3230	1.123	2	108.3230	1.261	2	108.3230	1.261	2	108.4850	4.595	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:2:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C(C[6]C[6]2O)(CHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCH)(OH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6]2O)(CHH)(H)	106.3715	0.564	2	106.3715	0.318	2	106.3715	0.318	2	106.3715	0.318	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:3:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-3:N-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:N-3:S-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CNS)(NCN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C(C[6]C[6]2N)(NC[6a]H)(S)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CNS)(NCN){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2N)(NC[6a]H)(S)	106.7650	0.000	1	106.7650	0.000	1	106.7650	0.000	1	106.7650	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:3:	3:4:1:	4:3:3:	C[6]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCC)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(CCO)(CHH)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCC)(CCO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(CCO)(CHH)	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	109.7480	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:3:	3:4:1:	4:4:1:	C[6]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCC)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCC)(CCO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(CH3)(O)	108.0170	0.000	1	108.0170	0.000	1	108.0170	0.000	1	108.0170	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:3:	3:4:2:	4:2:1:	C[6]-3:C[6]-4:C-3:C-3:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(COO)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]N[6])	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6]2C)(OC)(O)	111.9245	3.840	4	111.9245	14.744	4	111.9245	14.744	4	111.9245	14.744	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:3:	3:4:3:	4:2:1:	C[6]-3:C[6]-4:C-3:C-3:	C[5a,6]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHH)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHH){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(OC)(O)	111.2315	0.349	2	111.2315	0.122	2	111.2315	0.122	2	111.2315	0.122	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:3:	4:3:1:	4:2:1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(COO)	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O)	C(C[6]C[6a]C[6]2)(OC)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O){4|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(OC)(O)	103.8120	0.000	1	103.8120	0.000	1	103.8120	0.000	1	103.8120	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:3:	4:3:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6a]C[6]2)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6a]C[6]2)(CCH)(H)	107.9480	0.000	1	107.9480	0.000	1	107.9480	0.000	1	107.9480	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:3:	4:3:2:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-4:N[5]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(OC)	C(C[6]C[6,6a]C[6]2)(N[5]C[5]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(OC){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]2)(N[5]C[5]2)(O)	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:3:	4:4:1:	4:1:1:	C[6a]-3:C[3,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:H-1:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO)	C[6](C[6]C[3,6]C[6a]C)(C[6]C[6]CH)(O)	C(C[6]C[3,6]C[6a]C[6])(H)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6]C[6a]C)(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6a]C[6])(H)(O)	107.5960	0.000	1	107.5960	0.000	1	107.5960	0.000	1	107.5960	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:3:	4:4:1:	4:2:1:	C[5a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(O)	C(C[6]C[5a]C[6]2)(OC)(O)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(COO){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|N<3>,4|H<1>}	C(C[6]C[5a]C[6]2)(OC)(O)	106.9740	0.000	1	106.9740	0.000	1	106.9740	0.000	1	107.7860	10.247	5	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:3:	4:4:1:	4:2:1:	C[6]-3:C[6]-4:C-3:C-3:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(COO)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(COO)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C(C[6]C[6]2C)(OC)(O)	110.0345	4.754	2	110.0345	22.599	2	110.0345	22.599	2	107.7860	10.247	5	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:3:	4:4:1:	4:2:1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(COO)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C(C[6]C[6a]C[6]2)(OC)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(COO){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(OC)(O)	105.3000	0.000	1	105.3000	0.000	1	105.9435	0.828	2	107.7860	10.247	5	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:3:3:	4:4:1:	4:2:1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	C(C[6]C[6a]C[6]2)(OC)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(OC)(O)	106.5870	0.000	1	106.5870	0.000	1	105.9435	0.828	2	107.7860	10.247	5	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2C)(O)2	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(COO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(OC)(O)	108.2660	0.513	2	108.2660	0.264	2	109.0742	1.647	9	109.0742	1.647	9	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(COO){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){3|C<3>,3|H<1>}	C(C[6]C[6]2C)(OC)(O)	108.5900	0.000	1	108.5900	0.000	1	109.0742	1.647	9	109.0742	1.647	9	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(COO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(OC)(O)	109.9300	0.861	5	109.9300	0.742	5	109.0742	1.647	9	109.0742	1.647	9	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(COO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(OC)(O)	106.8960	0.000	1	106.8960	0.000	1	109.0742	1.647	9	109.0742	1.647	9	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CHH)(H)	110.1205	1.938	2	110.1585	2.541	19	110.1509	2.943	21	109.7987	3.725	24	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CHH)(H)	109.1130	1.614	3	110.1585	2.541	19	110.1509	2.943	21	109.7987	3.725	24	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CHH)(H)	111.0390	0.000	1	110.1585	2.541	19	110.1509	2.943	21	109.7987	3.725	24	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(CHH)(H)	108.8950	0.000	1	110.1585	2.541	19	110.1509	2.943	21	109.7987	3.725	24	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(CHH)(H)	108.6110	0.025	2	110.1585	2.541	19	110.1509	2.943	21	109.7987	3.725	24	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2C)(CHH)(H)	108.7650	0.000	1	110.1585	2.541	19	110.1509	2.943	21	109.7987	3.725	24	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6]2C)(CHH)(H)	108.6270	0.000	1	110.1585	2.541	19	110.1509	2.943	21	109.7987	3.725	24	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2C)(CHH)(H)	111.9567	0.852	4	110.1585	2.541	19	110.1509	2.943	21	109.7987	3.725	24	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2C)(CHH)(H)	110.7643	1.349	4	110.1585	2.541	19	110.1509	2.943	21	109.7987	3.725	24	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CHH)(H)	110.0785	3.621	2	110.0785	13.112	2	110.1509	2.943	21	109.7987	3.725	24	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(CHH)(H)	109.3170	0.000	1	109.3170	0.000	1	109.3170	0.000	1	109.7987	3.725	24	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(NCH)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(CNO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(NCH)(O)	106.3415	0.275	2	106.3415	0.076	2	106.3415	0.076	2	109.7987	3.725	24	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	4:4:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6]2C)(OC)(O)	107.8620	0.262	3	107.8620	0.069	3	107.7134	0.821	7	108.0982	1.026	10	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	4:4:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO)	C[6](C[3,6]C[3,6]C[3]I)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO){1|I<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]I)(C[6]C[6]CC)(O){1|C<4>,5|H<1>}	C(C[6]C[6]2C)(OC)(O)	107.6020	1.248	4	107.6020	1.557	4	107.7134	0.821	7	108.0982	1.026	10	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	4:4:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(COO){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[6]C[6]2C)(OC)(O)	109.5870	0.000	1	109.5870	0.000	1	108.9960	0.429	3	108.0982	1.026	10	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	4:4:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(COO)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(COO){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CC)(O){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6]2C)(OC)(O)	108.2920	0.000	1	108.2920	0.000	1	108.9960	0.429	3	108.0982	1.026	10	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	3:4:4:3:	4:4:1:	4:2:1:	C[6]-3:C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(COO)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(COO){1|Fe<10>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CC)(O){3|C<4>,3|H<1>}	C(C[6]C[6]2C)(OC)(O)	109.1090	0.000	1	109.1090	0.000	1	108.9960	0.429	3	108.0982	1.026	10	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	2:4:1:	3:4:1:	C[6]-4:C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(CC[6a]O)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(CC[6a]O)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	107.8790	0.000	1	107.8790	0.000	1	107.6780	0.081	2	107.6780	0.081	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	2:4:1:	3:4:1:	C[6]-4:C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	107.4770	0.000	1	107.4770	0.000	1	107.6780	0.081	2	107.6780	0.081	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	2:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(OC)(O)	110.1675	2.914	2	110.5213	4.621	3	110.9528	2.075	6	110.9528	2.075	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	2:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(OC)(O)	111.2290	0.000	1	110.5213	4.621	3	110.9528	2.075	6	110.9528	2.075	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	2:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(COO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(COO)(H){1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(OC)(O)	111.4880	0.000	1	111.4880	0.000	1	110.9528	2.075	6	110.9528	2.075	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	2:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(COO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(COO)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(OC)(O)	111.3325	0.026	2	111.3325	0.001	2	110.9528	2.075	6	110.9528	2.075	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:3:4:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(COO)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(COO)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6]2H)(OC)(O)	110.6010	0.000	1	110.6010	0.000	1	110.6010	0.000	1	110.6010	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	3:4:1:	C[6]-4:C[6]-3:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){2|H<1>,3|C<3>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	111.8250	0.000	1	111.8250	0.000	1	111.8250	0.000	1	109.9497	2.812	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	3:4:1:	C[6]-4:C[6]-3:C-3:H-1:	N[5,6]-3:C[6]-4:S-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[5,6]S)(CC[6a]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(S)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[5a]C[6]H)(C[6]N[5,6]S)(CC[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	109.9497	2.812	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	3:4:1:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:S-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]O)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(S)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]O)(H){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(S){1|H<1>,1|N<3>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	109.4300	0.000	1	109.4300	0.000	1	109.4300	0.000	1	109.9497	2.812	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:F-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(COO)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(COO)(F){1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]2F)(OC)(O)	113.4350	0.000	1	113.4350	0.000	1	110.8540	13.323	2	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:F-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(COO)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(COO)(F){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2F)(OC)(O)	108.2730	0.000	1	108.2730	0.000	1	110.8540	13.323	2	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[3x6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[3x6]H)(COO)(H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[3x6]H)(COO)(H){1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(OC)(O)	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(COO)(H)	C[6](C[6,6]C[5,6,6]N[6])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(COO)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]N[6])(C[6]C[6]CH)(H){2|H<1>,5|C<4>}	C(C[6]C[6]2H)(OC)(O)	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OH)(O)	110.9000	0.000	1	110.9000	0.000	1	110.1350	1.887	6	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]2H)(OC)(O)	110.1880	0.000	1	110.1880	0.000	1	110.1350	1.887	6	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2H)(OC)(O)	109.4290	0.000	1	109.4290	0.000	1	110.1350	1.887	6	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C(C[6]C[6]2H)(OC)(O)	111.9430	0.000	1	111.9430	0.000	1	110.1350	1.887	6	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H){1|H<1>,4|C<3>}	C(C[6]C[6]2H)(OC)(O)	107.9030	0.000	1	107.9030	0.000	1	110.1350	1.887	6	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(COO)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2H)(OC)(O)	110.4470	0.000	1	110.4470	0.000	1	110.1350	1.887	6	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(COO)(H){1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(OC)(O)	106.3310	0.000	1	106.3310	0.000	1	106.3310	0.000	1	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(COO)(H){1|C<4>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(OC)(O)	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(COO)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(COO)(H){1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]2H)(OC)(O)	108.5400	0.177	2	108.5400	0.031	2	108.5400	0.031	2	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(OC)(O)	108.5700	0.000	1	108.7955	0.102	2	108.7955	0.102	2	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[6]2H)(OC)(O)	109.0210	0.000	1	108.7955	0.102	2	108.7955	0.102	2	109.2753	3.153	16	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]CH)(O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]CH)(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	106.7680	0.000	1	106.7680	0.000	1	106.7680	0.000	1	108.5978	3.746	14	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(NCC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CNO)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(NCC)(O)	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	108.5978	3.746	14	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHH)(H)	109.7590	0.000	1	109.7590	0.000	1	109.4678	2.466	6	108.5978	3.746	14	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHH)(H)	108.1630	0.000	1	108.1630	0.000	1	109.4678	2.466	6	108.5978	3.746	14	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6,6]Cl)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[5,6,6]Cl)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CHH)(H)	111.8260	0.000	1	111.8260	0.000	1	109.4678	2.466	6	108.5978	3.746	14	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCH)(H)	108.5785	1.793	2	108.5785	3.213	2	109.4678	2.466	6	108.5978	3.746	14	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)	109.9020	0.000	1	109.9020	0.000	1	109.4678	2.466	6	108.5978	3.746	14	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:C-3:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CCO)(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CCO)(H){5|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]2H)(CCH)(O)	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	108.5978	3.746	14	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CNO)(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(NHH)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CNO)(H){5|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]2H)(NHH)(O)	107.6310	2.414	2	107.6310	5.828	2	107.2292	2.428	5	108.5978	3.746	14	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]2H)(C[6]N[6]O)(CNO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(NC[6a]H)(O)	C[6](C[6]C[6]2H)(C[6]N[6]O)(CNO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(NC[6a]H)(O)	106.2175	0.159	2	106.2175	0.025	2	107.2292	2.428	5	108.5978	3.746	14	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CNO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(NC[6a]C)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CNO)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6]2H)(NC[6a]C)(O)	108.4490	0.000	1	108.4490	0.000	1	107.2292	2.428	5	108.5978	3.746	14	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:1:	4:4:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CC[5]HH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CC[5]HH)(O)	110.7720	0.000	1	110.7720	0.000	1	110.7720	0.000	1	110.7720	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:2:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|N<3>,4|C<3>,4|H<1>}	C(C[6]C[6]2H)(OC)(O)	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:2:	4:4:1:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:N-2:	C[6]-4:C-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(NH)	C(C[6]C[6]2H)(CC3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)(H){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(NH){1|H<1>,5|C<3>}	C(C[6]C[6]2H)(CC3)(O)	109.5970	0.000	1	109.5970	0.000	1	109.5970	0.000	1	109.5970	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:3:	3:4:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	109.4005	0.230	2	109.4005	0.053	2	109.4005	0.053	2	108.7207	1.413	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:3:	3:4:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CC[6a]O)(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	108.7207	1.413	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:3:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]CH)(COO)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6,6a]CO)(C[6]C[6]C)(COO)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]CH)(COO){1|O<2>,3|C<3>}	C(C[6]C[6]2H)(OC)(O)	116.3543	2.277	4	116.3543	5.183	4	114.2834	11.877	8	114.2834	11.877	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:3:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CN[5]O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(COO)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CN[5]O){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(OC)(O)	114.0220	0.000	1	114.0220	0.000	1	114.2834	11.877	8	114.2834	11.877	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:3:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(OC)(O)	112.7750	4.557	2	111.6093	14.458	3	114.2834	11.877	8	114.2834	11.877	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:3:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(OC)(O)	109.2780	0.000	1	111.6093	14.458	3	114.2834	11.877	8	114.2834	11.877	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:3:	4:2:4:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:C-3:	C[6]-4:N-2:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCN)(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]CH)(CHH)	C(C[6]C[6]2H)(NC[6a])(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCN)(H){1|Ge<2>,3|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]CH)(CHH){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2H)(NC[6a])(CH3)	114.6780	0.000	1	114.6780	0.000	1	114.6780	0.000	1	114.6780	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:3:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:N-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]CH)(NOO)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]CH)(NOO){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CHH)(H)	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	111.3837	0.003	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:3:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(CCH)(H){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CCH)(H)	111.4125	0.022	2	111.4125	0.000	2	111.4125	0.000	2	111.3837	0.003	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:3:	4:3:3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]CH)(COO)	C(C[6]C[6]2H)(CCH)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]CH)(COO){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCH)(CHO)	112.7260	0.000	1	112.7260	0.000	1	113.1195	0.310	2	113.1195	0.310	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:3:	4:3:3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]CH)(COO)	C(C[6]C[6]2H)(CCH)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]CH)(COO){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCH)2	113.5130	0.000	1	113.5130	0.000	1	113.1195	0.310	2	113.1195	0.310	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:4:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]C)(COO)(H){1|C<4>,1|C<6>,4|B<6>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH){1|C<6>,2|H<1>,4|B<6>}	C(C[6]C[6]2H)(OC)(O)	114.9200	1.076	2	114.9200	1.158	2	114.9200	1.158	2	114.9200	1.158	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:4:	4:3:1:	C[3,6]-4:C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:N[5]-3:O-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[5,6]C)(CN[5]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]CH)(CH3)	C(C[6]C[3,6]C[6]H)(N[5]C[5]2)(O)	C[6](C[3,6]C[3]2C[6])(C[6]C[5,6]C)(CN[5]O)(H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]CH)(CH3){1|N<3>,2|H<1>,5|C<4>}	C(C[6]C[3,6]C[6]H)(N[5]C[5]2)(O)	108.2030	0.386	2	108.2030	0.149	2	108.2030	0.149	2	108.2030	0.149	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	3:4:4:	4:4:3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C(C[6]C[6]2H)(CH3)(CCC)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)(CCC)	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(COO)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	C(C[6]C[5,6]C[6]H)(OC)(O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(COO)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(OC)(O)	112.9300	0.203	5	112.9300	0.041	5	112.9300	0.041	5	111.4684	9.131	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(COO)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(O)	C(C[6]C[6,6]C[6]H)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(O){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(OC)(O)	104.5020	0.000	1	104.5020	0.000	1	104.5020	0.000	1	111.4684	9.131	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:2:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(COO)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(OC)(O)	109.8010	0.000	1	109.8010	0.000	1	111.2975	4.479	2	111.4684	9.131	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:2:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(COO)(H){4|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(OC)(O)	112.7940	0.000	1	112.7940	0.000	1	111.2975	4.479	2	111.4684	9.131	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:2:1:	4:4:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[3x6]CH)(C[6]O[6]O)(CCO)(H)	C[6](C[6]C[6]CH)(O[6]C[4x6])(O)	C(C[6]C[6]2H)(CCHH)(O)	C[6](C[6]C[3x6]CH)(C[6]O[6]O)(CCO)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[4x6])(O){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(O)	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:2:3:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]O[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCH)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]C)(CCH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)	105.3443	0.575	3	105.3443	0.331	3	105.3443	0.331	3	105.3443	0.331	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:2:4:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-2:C-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]C)(CNO)(H)	C[6](C[6]C[6]CH)(N[6]N[6])(CH3)	C(C[6]C[6]2H)(NCC)(O)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CNO)(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]CH)(N[6]N[6])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(NCC)(O)	110.7290	0.000	1	110.7290	0.000	1	110.7290	0.000	1	110.7290	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]O)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	3:4:2:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-4:N-2:	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a])	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a])	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:1:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	C(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(O)2	108.2060	0.829	2	108.2060	0.687	2	108.2060	0.687	2	108.2060	0.687	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C(C[6]C[5,6]C[6]H)(OH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(OH)(O)	113.6510	0.000	1	113.6510	0.000	1	111.5735	8.632	2	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6a]2Ge[6])(C[6]C[6]H)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H)	C(C[6]C[5,6]C[6]H)(OC)(O)	C[6](C[5,6]C[5,6a]2Ge[6])(C[6]C[6]H)(COO)(H){2|O<2>,6|C<3>}	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H){1|Ge<4>,2|C<3>}	C(C[6]C[5,6]C[6]H)(OC)(O)	109.4960	0.000	1	109.4960	0.000	1	111.5735	8.632	2	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O)	C(C[6]C[5,6]C[6]H)(OC)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(OC)(O)	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(COO)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O)	C(C[6]C[5,6]C[6]H)(OC)(O)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(COO)(H){2|C<3>,4|C<4>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(OC)(O)	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6]H)(OC)(O)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|S<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(O)	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]O)(COO)(Br)	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O)	C(C[6]C[6]2Br)(OC)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(COO)(Br){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,2|C<4>}	C(C[6]C[6]2Br)(OC)(O)	108.9680	0.000	1	108.9680	0.000	1	107.3947	2.559	3	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br)	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O)	C(C[6]C[6]2Br)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O){1|Br<1>,1|C<4>,2|H<1>}	C(C[6]C[6]2Br)(OC)(O)	107.4460	0.000	1	106.6080	1.404	2	107.3947	2.559	3	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br)	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O)	C(C[6]C[6]2Br)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(Br){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O){1|Br<1>,1|C<4>,2|H<1>}	C(C[6]C[6]2Br)(OC)(O)	105.7700	0.000	1	106.6080	1.404	2	107.3947	2.559	3	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(F)	C[6](C[6]C[6]CF)(C[6]C[6]H)(O)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(F){1|F<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]CF)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2F)(OC)(O)	108.7270	0.000	1	108.7270	0.000	1	108.7270	0.000	1	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(F)	C[6](C[6]C[6]CF)(N[6]C[6]H)(O)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(F){1|C<4>,3|H<1>}	C[6](C[6]C[6]CF)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	C(C[6]C[6]2F)(OC)(O)	107.9824	0.843	5	107.9824	0.711	5	108.0207	0.577	6	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(F)	C[6](C[6]C[6]CF)(N[6]C[6]H)(O)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(F){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CF)(N[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2F)(OC)(O)	108.2120	0.000	1	108.2120	0.000	1	108.0207	0.577	6	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(Br)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(COO)(H){1|Br<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(Br){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(OC)(O)	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2H)(OC)(O)	109.5755	0.715	2	109.5755	0.511	2	109.2758	2.948	16	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(OC)(O)	109.2329	1.829	14	109.2329	3.346	14	109.2758	2.948	16	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]O)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]O)(COO)(H){2|C<3>,4|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OC)(O)	107.9720	0.000	1	107.9720	0.000	1	110.3700	11.749	3	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C(C[6]C[6]2H)(OH)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(OH)(O)	114.2960	0.000	1	114.2960	0.000	1	110.3700	11.749	3	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C(C[6]C[6]2H)(OC[5,6])(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OC[5,6])(O)	108.8420	0.000	1	108.8420	0.000	1	110.3700	11.749	3	109.3796	4.342	35	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C(C[6]C[5,6]C[6]H)(CC[5]H)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CC[5]H)(H)	112.0990	0.000	1	112.0990	0.000	1	113.6088	4.959	13	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CCC)(H)	113.6387	0.673	3	113.6387	0.453	3	113.6088	4.959	13	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CCH)(H)	112.6873	0.890	4	112.6873	0.791	4	113.6088	4.959	13	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CCC)(H)	116.1205	0.550	4	116.1205	0.303	4	113.6088	4.959	13	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CCC)(H)	108.6690	0.000	1	108.6690	0.000	1	113.6088	4.959	13	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCH)(H)	106.8455	1.477	2	106.8455	2.182	2	106.8455	2.182	2	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(O){1|H<1>,1|N<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	108.0270	0.000	1	108.0270	0.000	1	108.0270	0.000	1	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]OO)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]2H)(CCO)(H)	112.9080	0.000	1	112.9080	0.000	1	112.1860	1.043	2	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCC)(H)	111.4640	0.000	1	111.4640	0.000	1	112.1860	1.043	2	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6]2H)(CBrC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,3|H<1>}	C(C[6]C[6]2H)(CBrC)(O)	108.4650	0.324	2	108.4650	0.105	2	107.9623	0.810	3	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6]2H)(CCO)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H){1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCO)(O)	106.9570	0.000	1	106.9570	0.000	1	107.9623	0.810	3	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C(C[6]C[6]2H)(NCC)(O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(NCC)(O)	107.6685	1.674	2	108.2823	2.531	3	108.2823	2.531	3	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C(C[6]C[6]2H)(NCC)(O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(NCC)(O)	109.5100	0.000	1	108.2823	2.531	3	108.2823	2.531	3	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C(C[6]C[6]2H)(NC[6a]H)(O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CNO)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2H)(NC[6a]H)(O)	108.6970	0.000	1	108.6970	0.000	1	108.6970	0.000	1	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCH)(H)	115.0510	0.000	1	115.0510	0.000	1	115.0510	0.000	1	111.3649	10.886	26	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:4:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C-4:O-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(CCO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O)	C(C[6]C[5,6]C[6]H)(CH3)(O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(CCO)(H){1|H<1>,4|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5,6]C[6]H)(CH3)(O)	106.0210	0.000	1	106.0210	0.000	1	106.0210	0.000	1	106.8655	1.426	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:4:1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(F)	C[6](C[6]C[6]CF)(C[6]C[6]H)(O)	C(C[6]C[6]2F)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(F){1|F<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]CF)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2F)(CH3)(O)	107.7100	0.000	1	107.7100	0.000	1	107.7100	0.000	1	106.8655	1.426	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:1:	4:4:3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H){1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	112.2665	0.078	2	112.2665	0.006	2	112.2665	0.006	2	112.2665	0.006	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:2:	3:4:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-2:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]S)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(SC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]S)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(SC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	110.9160	0.000	1	110.9160	0.000	1	110.9160	0.000	1	110.9160	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:2:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NN)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(NN){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(OC)(O)	110.4090	0.000	1	110.4090	0.000	1	110.4090	0.000	1	109.1815	1.350	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:2:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<2>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(OC)(O)	108.8530	0.000	1	108.8530	0.000	1	109.0699	1.321	11	109.1815	1.350	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:2:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H){1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(OC)(O)	109.0916	1.209	10	109.0916	1.462	10	109.0699	1.321	11	109.1815	1.350	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:2:	4:3:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(OC)	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	111.3030	0.772	2	111.3030	0.596	2	111.3030	0.596	2	111.3030	0.596	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:1:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:H-1:O-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO)	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)(O)	111.3385	0.579	2	111.1548	0.157	4	111.1548	0.157	4	111.1548	0.157	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:1:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:H-1:O-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO)	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)(O)	110.9710	0.040	2	111.1548	0.157	4	111.1548	0.157	4	111.1548	0.157	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:2:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(CHH)	C(C[6]C[5,6]C[6]H)(OC)(O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(CHH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5,6]C[6]H)(OC)(O)	113.0480	0.000	1	113.0480	0.000	1	110.6625	1.685	6	110.7563	4.888	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:2:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)	C(C[6]C[5,6]C[6]H)(OC)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(COO)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6]H)(OC)(O)	110.1854	0.632	5	110.1854	0.400	5	110.6625	1.685	6	110.7563	4.888	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:2:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)	C(C[6]C[6,6]C[6]H)(OC)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(O)	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	110.7563	4.888	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:2:1:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(F)	C[6](C[6]C[6]CF)(C[6]C[6]H)(CCH)	C(C[6]C[6]2F)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(F){3|C<3>,3|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2F)(OC)(O)	107.0010	0.000	1	107.0010	0.000	1	107.0010	0.000	1	110.7563	4.888	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|H<1>}	C(C[6]C[6]2H)(OC)(O)	112.8940	0.000	1	112.8940	0.000	1	112.3440	5.656	4	110.7563	4.888	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|H<1>}	C(C[6]C[6]2H)(OC)(O)	110.9050	0.000	1	110.9050	0.000	1	112.3440	5.656	4	110.7563	4.888	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OC)(O)	115.4530	0.000	1	115.4530	0.000	1	112.3440	5.656	4	110.7563	4.888	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(O)	110.1240	0.000	1	110.1240	0.000	1	112.3440	5.656	4	110.7563	4.888	12	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[5,6]C[5,6a]C[3x6]C[5])(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6]C[5,6]CH)(C[6]N[3x6]C)(COO)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[3x6]C[5])(C[6]C[6]C)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]N[3x6]C)(COO){2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	110.9840	0.000	1	110.9840	0.000	1	110.2465	1.088	2	111.0466	3.406	5	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6]C[5,6]CH)(C[6]N[6,6]C)(COO)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5,6]CH)(C[6]N[6,6]C)(COO){1|C<4>,3|C<3>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)	109.5090	0.000	1	109.5090	0.000	1	110.2465	1.088	2	111.0466	3.406	5	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CHH)(H)	114.2120	0.000	1	114.2120	0.000	1	111.5800	5.201	3	111.0466	3.406	5	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CBrH)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CBrH){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)	110.2640	0.107	2	110.2640	0.012	2	111.5800	5.201	3	111.0466	3.406	5	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:4:3:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CC[6a]C)	C(C[6]C[5,6]C[6]H)(CCHH)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(CCH)	115.3670	0.000	1	115.3670	0.000	1	115.3670	0.000	1	113.0435	2.403	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:4:3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C-4:C-3:	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCP)	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H){2|C<3>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCP){1|B<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(CHH)	112.2260	0.000	1	112.2260	0.000	1	112.2690	0.006	3	113.0435	2.403	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:3:	4:4:3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]2)(CCH)	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCC)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(CCH){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(CHH)	112.2905	0.093	2	112.2905	0.009	2	112.2690	0.006	3	113.0435	2.403	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:4:	3:4:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(O)	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:4:	4:2:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]N[6,6]H)(CC[6a]HH)	C(C[6]C[5,6]C[6]H)(OC)(O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(COO)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]N[6,6]H)(CC[6a]HH){2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(OC)(O)	112.0180	0.000	1	112.0180	0.000	1	112.0180	0.000	1	110.5823	2.939	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:4:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2H)(OH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(OH)(O)	108.6840	0.000	1	108.6840	0.000	1	109.8645	2.787	2	110.5823	2.939	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:4:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]2H)(OC)(O)	111.0450	0.000	1	111.0450	0.000	1	109.8645	2.787	2	110.5823	2.939	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N-3:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CNO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCCH)	C(C[6]C[5,6]C[6]H)(NCC)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CNO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCCH){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(NCC)(O)	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	109.0660	3.928	10	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6]H)(CC[5a]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5a]H)(H)	111.7620	0.000	1	111.7620	0.000	1	109.5165	10.085	2	109.0660	3.928	10	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)	C(C[6]C[6,6]C[6]H)(CCC)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(CCH)(H){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCC)(H)	107.2710	0.000	1	107.2710	0.000	1	109.5165	10.085	2	109.0660	3.928	10	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]2H)(CCH)(H)	107.8468	0.845	4	107.8468	0.714	4	108.2642	1.407	5	109.0660	3.928	10	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CHH)(H)	109.9340	0.000	1	109.9340	0.000	1	108.2642	1.407	5	109.0660	3.928	10	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2H)(NCC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(NCC)(O)	112.5740	0.000	1	112.5740	0.000	1	110.0460	12.782	2	109.0660	3.928	10	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2H)(NC[6a]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(NC[6a]H)(O)	107.5180	0.000	1	107.5180	0.000	1	110.0460	12.782	2	109.0660	3.928	10	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:4:	4:4:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:O-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2H)(CC[6]HH)(O)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CC[6]HH)(O)	112.2740	0.000	2	112.2740	0.000	2	112.2740	0.000	2	110.1163	13.967	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:3:4:	4:4:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2H)2(O)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]O)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2H)2(O)	105.8010	0.000	1	105.8010	0.000	1	105.8010	0.000	1	110.1163	13.967	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	3:4:3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CMnC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CMnC)	113.4470	0.000	1	113.4470	0.000	1	113.4470	0.000	1	113.4470	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	C(C[6]C[5,6]C[6]H)(OC)(O)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[5,6]C[6]H)(OC)(O)	111.1810	0.000	1	111.1810	0.000	1	110.4030	1.211	2	109.4614	2.177	20	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	C(C[6]C[5,6]C[6]H)(OC)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(OC)(O)	109.6250	0.000	1	109.6250	0.000	1	110.4030	1.211	2	109.4614	2.177	20	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C(C[6]C[6,6]C[6]H)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(O)	109.3450	0.000	1	109.3450	0.000	1	110.4330	3.555	4	109.4614	2.177	20	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C(C[6]C[6,6]C[6]H)(OC)(O)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(COO)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(OC)(O)	111.9565	1.001	2	111.9565	1.001	2	110.4330	3.555	4	109.4614	2.177	20	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	C(C[6]C[6,6]C[6]H)(OC)(O)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(COO)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(O)	108.4740	0.000	1	108.4740	0.000	1	110.4330	3.555	4	109.4614	2.177	20	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(OC)(O)	107.3860	0.000	1	107.3860	0.000	1	109.0493	1.659	14	109.4614	2.177	20	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CO)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)2(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]CO)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)2(O){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(O)	108.0400	0.000	1	108.0400	0.000	1	109.0493	1.659	14	109.4614	2.177	20	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)2(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(O){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(OC)(O)	108.6448	0.874	4	109.2690	2.522	5	109.0493	1.659	14	109.4614	2.177	20	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)2(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)2(O){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(O)	111.7660	0.000	1	109.2690	2.522	5	109.0493	1.659	14	109.4614	2.177	20	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(OC)(O)	109.9427	1.262	3	109.9427	1.592	3	109.0493	1.659	14	109.4614	2.177	20	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(OC)(O)	108.5120	0.614	3	108.5120	0.377	3	109.0493	1.659	14	109.4614	2.177	20	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C(C[6]C[6]2H)(OC)(O)	C[6](C[6]O[6]CH)(C[6]C[6]O)(COO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(OC)(O)	109.5550	0.000	1	109.5550	0.000	1	109.0493	1.659	14	109.4614	2.177	20	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5,6]C[6]H)(CCH)(H)	111.8330	0.000	1	111.8330	0.000	1	111.8330	0.000	1	112.1670	6.319	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(CC[6a]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(CC[6a]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)	111.2410	0.000	1	111.2410	0.000	1	111.2410	0.000	1	112.1670	6.319	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:Cl-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O)	C(C[6]C[6]2Cl)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O){1|C<2>,1|C<3>,3|H<1>}	C(C[6]C[6]2Cl)(CCH)(H)	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	112.1670	6.319	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(CCH)(H)	117.9590	0.000	1	117.9590	0.000	1	112.4664	10.690	5	112.1670	6.319	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O){1|C<2>,1|C<3>,3|H<1>}	C(C[6]C[6]2H)(CCH)(H)	109.7870	0.000	1	109.7870	0.000	1	112.4664	10.690	5	112.1670	6.319	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2H)(CCH)(H)	111.1880	0.000	1	111.1880	0.000	1	112.4664	10.690	5	112.1670	6.319	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]CH)2(O)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)	110.5590	0.000	1	110.5590	0.000	1	112.4664	10.690	5	112.1670	6.319	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]CH)2(O)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)	112.8390	0.000	1	112.8390	0.000	1	112.4664	10.690	5	112.1670	6.319	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(CH3)(O)	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	109.2515	0.458	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C(C[6]C[6]2H)2(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C(C[6]C[6]2H)2(O)	109.7300	0.000	1	109.7300	0.000	1	109.7300	0.000	1	109.2515	0.458	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:1:	4:4:3:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(CHH)	112.3940	0.000	1	112.3940	0.000	1	112.3940	0.000	1	112.3940	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCO)(H)	113.7730	0.000	1	113.7730	0.000	1	112.7579	0.670	8	111.8842	3.786	11	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	112.3656	0.782	5	112.3656	0.611	5	112.7579	0.670	8	111.8842	3.786	11	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CHH)(H)	113.2380	0.000	1	113.2310	0.000	2	112.7579	0.670	8	111.8842	3.786	11	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CHH)(H)	113.2240	0.000	1	113.2310	0.000	2	112.7579	0.670	8	111.8842	3.786	11	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)	106.9050	0.000	1	106.9050	0.000	1	109.5543	5.386	3	111.8842	3.786	11	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCC)(H)	111.2280	0.000	1	111.2280	0.000	1	109.5543	5.386	3	111.8842	3.786	11	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC){1|O<2>,4|H<1>}	C(C[6]C[6]2H)(CCH)(H)	110.5300	0.000	1	110.5300	0.000	1	109.5543	5.386	3	111.8842	3.786	11	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:3:	4:4:1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCO)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCH)	C(C[6]C[6]2H)(CH3)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCO)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCH){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(O)	112.0410	0.000	1	112.0410	0.000	1	112.0410	0.000	1	112.0410	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:1:	4:4:4:	4:3:1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	114.6080	0.000	1	114.6080	0.000	1	114.6080	0.000	1	114.6080	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:2:	2:4:1:	4:4:1:	C[6]-4:C[6]-3:C-3:O-2:	O[6]-2:C[6]-4:O-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCO)(OO)	C[6](O[6]C[6,6a])(C[6]C[6]CO)(O)	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCO)(OO){1|H<1>,2|C<3>,2|C<4>}	C[6](O[6]C[6,6a])(C[6]C[6]CO)(O){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2O)(CH3)(O)	113.3530	0.000	1	113.3530	0.000	1	113.3530	0.000	1	113.3530	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:2:	3:4:1:	4:2:1:	C[5,6]-4:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O)(COO)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(O)	C(C[6]C[5,6]C[6]O)(OC)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O)(COO)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(O){1|O<2>,2|C<3>,3|C<4>}	C(C[6]C[5,6]C[6]O)(OC)(O)	105.9700	0.000	1	105.9700	0.000	1	105.9700	0.000	1	109.5810	10.949	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:2:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(COO)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(COO)(OC){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2O)(OC)(O)	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	109.5810	10.949	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:2:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:O-2:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(COO)(OH)	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(H)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(COO)(OH){1|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(OC)(O)	110.3050	0.000	1	110.3050	0.000	1	110.3050	0.000	1	109.5810	10.949	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:2:	4:3:3:	4:2:1:	C[6,6]-4:C[6]-3:C-3:O-2:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)	C(C[6]C[6,6]C[6]O)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(OC)(O)	111.2870	0.055	2	111.2870	0.003	2	111.2870	0.003	2	111.2870	0.003	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:2:	4:4:1:	4:1:1:	C[5,6]-4:C[6]-3:C-3:O-2:	C[6]-4:C[6]-4:O-1:	C[6]-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(O)	C(C[6]C[5,6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(O){1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]O)(H)2	113.0510	0.000	1	113.0510	0.000	1	113.0510	0.000	1	113.0510	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:2:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:S-2:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP)	C[6](C[6]C[6]CH)(C[6]C[6]CS)(O)	C(C[6]C[6]2S)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CS)(O){1|C<4>,4|H<1>}	C(C[6]C[6]2S)(OC)(O)	106.7970	0.000	1	106.7970	0.000	1	107.3630	0.641	2	107.3630	0.641	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:2:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:S-2:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	C(C[6]C[6]2S)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(SP){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C(C[6]C[6]2S)(OC)(O)	107.9290	0.000	1	107.9290	0.000	1	107.3630	0.641	2	107.3630	0.641	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:2:	4:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C-3:O-2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O)	C(C[6]C[6,6]C[6]O)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(CHH)(H)	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(COO)2	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(COO)2{1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(OC)(O)	110.5980	1.663	2	110.5980	2.766	2	110.5980	2.766	2	110.5298	0.941	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:N-3:	N[6]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(COO)(NCH)	C[6](N[6]C[6,6a]S)(C[6]C[6]CN)(O)	C(C[6]C[6]2N)(OC)(O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(COO)(NCH){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]CN)(O){1|H<1>,3|C<3>}	C(C[6]C[6]2N)(OC)(O)	110.4615	0.197	2	110.4615	0.039	2	110.4615	0.039	2	110.5298	0.941	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2C)(OC)(O)	109.5325	5.057	2	109.5325	25.568	2	109.5112	10.579	4	109.5112	10.579	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(OC)(O)	109.4900	2.483	2	109.4900	6.167	2	109.5112	10.579	4	109.5112	10.579	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	4:3:2:	3:4:3:	P-4:C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6]-4:C-3:	C[6](PC[6a]2Rh)(C[6]C[6]O)2(CC[6a]C)	C[6](C[6]C[6]CP)(C[6]C[6]H)(OC)	C(C[6a]C[6a]2)(C[6]C[6]2P)(CRhH)	C[6](PC[6a]2Rh)(C[6]C[6]O)2(CC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2P)(CRhH)	112.6130	0.252	2	112.6130	0.063	2	109.1530	15.985	4	109.1530	15.985	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	4:3:2:	3:4:3:	P-4:C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6]-4:C-3:	C[6](PC[6a]2Rh)(C[6]C[6]O)2(CC[6a]C)	C[6](C[6]C[6]CP)(C[6]C[6]H)(ORh)	C(C[6a]C[6a]2)(C[6]C[6]2P)(CRhH)	C[6](PC[6a]2Rh)(C[6]C[6]O)2(CC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]H)(ORh){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2P)(CRhH)	105.6930	0.065	2	105.6930	0.004	2	109.1530	15.985	4	109.1530	15.985	4	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	4:3:2:	4:2:1:	C[6]-4:C[6]-3:C-3:N-3:	C[6]-4:C[6]-3:O-2:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)	C(C[6]C[6]2N)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NCH){1|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2N)(OC)(O)	107.1330	0.000	1	107.1330	0.000	1	107.1330	0.000	1	107.1330	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	4:4:1:	3:4:1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-4:C[6]-4:O-1:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)	110.3490	0.000	1	110.3490	0.000	1	110.3490	0.000	1	110.3490	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	4:4:1:	4:2:1:	C[6,6]-4:C[6]-3:C-3:C-3:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(CCH)(COO)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CC)(O)	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(CCH)(COO){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CC)(O){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(O)	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	108.7223	8.011	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C(C[6]C[6]2C)(OH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(OH)(O)	105.9540	0.000	1	105.9540	0.000	1	105.9540	0.000	1	108.7223	8.011	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:N-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NNO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(O)	C(C[6]C[6]2N)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(OC)(O)	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1	108.7223	8.011	3	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C-3:C-3:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(CCH)(COO)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CC)(O)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(CCH)(COO){3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CC)(O){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCH)(H)	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CH3)(O)	106.8570	0.525	2	106.8570	0.275	2	106.8570	0.275	2	106.8570	0.275	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	4:4:1:	4:4:3:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C(C[6]C[6]2C)(CHHO)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CHHO)(CHH)	110.8930	0.000	1	110.8930	0.000	1	111.4625	0.649	2	111.4625	0.649	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	4:4:1:	4:4:3:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C(C[6]C[6]2C)(CN[5a]HH)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CN[5a]HH)(CHH)	112.0320	0.000	1	112.0320	0.000	1	111.4625	0.649	2	111.4625	0.649	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:3:	4:4:3:	4:2:1:	C[6]-4:C[6]-3:C-3:C-3:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(OC)(O)	112.4035	0.211	2	112.4035	0.045	2	112.4035	0.045	2	112.4035	0.045	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:4:	2:4:1:	3:4:1:	C[6]-4:C[6]-3:C-3:C-4:	O[6]-2:C[6]-4:O-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(CCHH){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	104.3400	0.000	1	104.3400	0.000	1	104.3400	0.000	1	104.3400	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:4:	4:2:1:	3:4:1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:O[6]-2:O-1:	C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]O)(CCHH)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]O)(CCHH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:4:	4:3:2:	4:4:1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:C[6]-3:O-2:	C[5]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]O)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C(C[5]C[5]2C)(C[6]C[6]2C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){2|H<1>,3|C<4>}	C(C[5]C[5]2C)(C[6]C[6]2C)(O)	112.8280	0.000	1	112.8280	0.000	1	112.8280	0.000	1	112.8280	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:3:4:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:C-4:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:C[5]-3:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5]O)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(C[5]C[5]2)(O)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5]O)(CCHH){1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O){1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6]2C)(C[5]C[5]2)(O)	112.0850	0.000	1	112.0850	0.000	1	112.0850	0.000	1	112.0850	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	2:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	O[6]-2:C[6]-4:O-1:	C[6]-4:S-2:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(COS)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(SC[6a])(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(COS){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2C)(SC[6a])(O)	110.9200	0.000	1	110.9200	0.000	1	110.9200	0.000	1	110.9200	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	2:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	O[6]-2:C[6]-4:O-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(CCO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(O){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(O)	105.5570	0.000	1	105.5570	0.000	1	105.5570	0.000	1	105.5570	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	2:4:3:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	O[6]-2:C[6]-4:C-3:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(CH3)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CHH)	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(CH3)(CCO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CHH){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(CH3)(O)	111.7340	0.325	2	111.7340	0.106	2	111.7340	0.106	2	111.7340	0.106	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	3:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CCHH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(OC[6])(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CCHH)(COO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(OC[6])(O)	105.3625	1.645	2	105.3625	2.707	2	105.3625	2.707	2	105.3625	2.707	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:C-3:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)(CCO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CCH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)(CCO){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCH)(O)	107.4153	1.945	3	107.4153	3.782	3	107.4153	3.782	3	108.9328	9.197	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CHH)(H)	114.4360	0.000	1	114.4360	0.000	1	111.1355	21.787	2	108.9328	9.197	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H){1|H<1>,4|C<4>}	C(C[6]C[6]2C)(CCH)(H)	107.8350	0.000	1	107.8350	0.000	1	111.1355	21.787	2	108.9328	9.197	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	N[6]-3:C[6]-4:O-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(CNO)	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(NCH)(O)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(CNO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(NCH)(O)	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	108.9328	9.197	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	3:4:2:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[5,6]-3:C[6]-4:N-2:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH)	C[6](C[5,6]C[5,5a]C[5,6])(C[6]C[6]CC)(NC)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,5a]C[5,6])(C[6]C[6]CC)(NC){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CHH)(H)	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:2:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:O[6]-2:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(O[6]C[6])(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO){1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(O[6]C[6])(O){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(OC)(O)	106.6825	0.284	2	106.6825	0.080	2	106.6825	0.080	2	106.6825	0.080	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:1:	4:2:1:	C[6,6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O)	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(COO){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(O)	110.1110	0.000	1	110.1110	0.000	1	110.1110	0.000	1	107.4708	3.825	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(OC)(O)	105.8920	0.000	1	105.8920	0.000	1	107.7450	6.867	2	107.4708	3.825	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]H)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(OC)(O)	109.5980	0.000	1	109.5980	0.000	1	107.7450	6.867	2	107.4708	3.825	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:N[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(COO){1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(OC)(O)	105.3660	0.000	1	105.3660	0.000	1	106.4080	0.875	3	107.4708	3.825	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:N[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(COO)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C(C[6]C[6]2C)(OH)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(COO){1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(OH)(O)	106.9290	0.348	2	106.9290	0.121	2	106.4080	0.875	3	107.4708	3.825	6	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6]C)(CCC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]C)(CCC)(H)	114.0933	0.464	3	114.3392	0.385	4	114.3392	0.385	4	113.3641	9.850	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)	C(C[6]C[5,6]C[6]C)(CCC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]C)(CCC)(H)	115.0770	0.000	1	114.3392	0.385	4	114.3392	0.385	4	113.3641	9.850	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]H)(Cl)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]2C)(CHH)(H)	110.9990	0.000	1	110.9990	0.000	1	110.9990	0.000	1	113.3641	9.850	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH){2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(CCC)(H)	115.5700	0.000	1	115.5700	0.000	1	112.8523	28.805	3	113.3641	9.850	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CHH)(H)	106.6700	0.000	1	106.6700	0.000	1	112.8523	28.805	3	113.3641	9.850	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH){2|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(CCC)(H)	116.3170	0.000	1	116.3170	0.000	1	112.8523	28.805	3	113.3641	9.850	8	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:1:	4:4:1:	C[6]-4:C[6]-3:S-4:C-3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(CCO)	C[6](C[6]C[6]CS)(N[6]C[6]C)(O)	C(C[6]C[6]2S)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(CCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CS)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2S)(CH3)(O)	114.3350	0.000	1	114.3350	0.000	1	114.3350	0.000	1	114.3350	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:2:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:N-2:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]H)(NN)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(NN){2|C<4>,2|H<1>}	C(C[6]C[6]2C)(OC)(O)	108.7155	1.624	2	108.7155	2.638	2	108.7155	2.638	2	108.7155	2.638	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:4:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2C)(CCCH)(O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO){1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCCH)(O)	109.8160	0.000	1	109.8160	0.000	1	109.4005	0.345	2	109.4005	0.345	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:3:4:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2C)(CCHH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(CCO){2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(O)	108.9850	0.000	1	108.9850	0.000	1	109.4005	0.345	2	109.4005	0.345	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6,6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(COO){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(O)	113.4260	0.000	1	113.4260	0.000	1	113.4260	0.000	1	109.3756	5.911	13	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(COO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(OC)(O)	107.8630	0.000	1	107.8630	0.000	1	110.1613	4.009	3	109.3756	5.911	13	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(COO){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(O){1|C<3>,1|C<4>,6|H<1>}	C(C[6]C[6]2C)(OC)(O)	111.3105	0.309	2	111.3105	0.095	2	110.1613	4.009	3	109.3756	5.911	13	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CC[6a]HH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CC[6a]HH)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(OC)(O)	106.2700	0.148	2	106.2700	0.022	2	108.6637	5.012	9	109.3756	5.911	13	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(OC)(O)	110.1700	0.000	1	110.1700	0.000	1	108.6637	5.012	9	109.3756	5.911	13	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,1|I<1>,3|H<1>}	C(C[6]C[6]2C)(OC)(O)	109.2190	0.000	1	109.2190	0.000	1	108.6637	5.012	9	109.3756	5.911	13	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(OC)(O)	111.1040	0.000	1	111.1040	0.000	1	108.6637	5.012	9	109.3756	5.911	13	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)2(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)2(O){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(OC)(O)	105.4230	0.000	1	105.4230	0.000	1	108.6637	5.012	9	109.3756	5.911	13	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(OC)(O)	111.7250	0.000	1	111.7250	0.000	1	108.6637	5.012	9	109.3756	5.911	13	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(OC)(O)	108.6710	0.000	1	108.6710	0.000	1	108.6637	5.012	9	109.3756	5.911	13	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(COO)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(O){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2C)(OC)(O)	109.1210	0.000	1	109.1210	0.000	1	108.6637	5.012	9	109.3756	5.911	13	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[4,6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]CC)(O){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CHH)(H)	105.9380	0.000	1	105.9380	0.000	1	105.9475	0.000	2	107.4183	1.259	9	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[4,6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]2H)(C[6]C[6]CC)(O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CHH)(H)	105.9570	0.000	1	105.9570	0.000	1	105.9475	0.000	2	107.4183	1.259	9	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[5,6]O)(CH3)(CCH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[5,6]O)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(O){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6]2C)(CHH)(H)	109.0240	0.000	1	109.0240	0.000	1	109.0240	0.000	1	107.4183	1.259	9	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(O){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CHH)(H)	106.8250	0.000	1	106.8250	0.000	1	106.8250	0.000	1	107.4183	1.259	9	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(CHH)(H)	107.3260	0.000	1	107.3260	0.000	1	107.8042	0.518	5	107.4183	1.259	9	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(O)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(O){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(CHH)(H)	107.1810	0.000	1	107.1810	0.000	1	107.8042	0.518	5	107.4183	1.259	9	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH)	C[6](C[6]C[6]CC)2(O)	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CCH)(H)	108.2015	1.022	2	108.2015	1.044	2	107.8042	0.518	5	107.4183	1.259	9	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(CH3)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2C)(CHH)(H)	108.1110	0.000	1	108.1110	0.000	1	107.8042	0.518	5	107.4183	1.259	9	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:1:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO)	C[6](C[6]C[6]CC)2(O)	C(C[6]C[6]2C)(CH3)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)2(O){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CH3)(O)	107.9110	0.000	1	107.9110	0.000	1	107.9110	0.000	1	107.9110	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:2:	4:2:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:N-2:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CHHN)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	C(C[6]C[6]2C)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CHHN)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(OC)(O)	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:2:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:N-2:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(CNO)	C[6](C[6]C[6]CC)(C[6]N[6]HH)(NO)	C(C[6]C[6]2C)(NHH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(CNO){1|N<3>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]N[6]HH)(NO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(NHH)(O)	110.7310	0.000	1	110.7310	0.000	1	108.9810	6.125	2	108.9810	6.125	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:2:	4:3:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:N-2:	C[6]-4:N-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(CNO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	C(C[6]C[6]2C)(NHH)(O)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(CNO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|N<3>,4|H<1>}	C(C[6]C[6]2C)(NHH)(O)	107.2310	0.000	1	107.2310	0.000	1	108.9810	6.125	2	108.9810	6.125	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:3:	4:4:1:	C[5,6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-4:O-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(CHH)	C(C[6]C[5,6]C[6]C)(CCCO)(O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(CCO){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(CHH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(CCCO)(O)	105.1720	0.000	1	105.1720	0.000	1	105.1720	0.000	1	108.5080	22.258	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:3:4:3:	4:4:3:	4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CHH)	C(C[6]C[6]2C)(CCCO)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(CCO){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CHH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCCO)(O)	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	108.5080	22.258	2	109.9647	7.747	609	109.8135	7.709	820
466	762	930	0:SP3_SP2_SP2	C[6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]C[5]C)(C[6]C[6]C)(O)	C(C[6]C[5,6]C[5]C[6])(OC)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]O)(COO){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[5]C)(C[6]C[6]C)(O){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[5]C[6])(OC)(O)	104.0840	0.000	1	104.0840	0.000	1	104.0840	0.000	1	104.0840	0.000	1	109.9647	7.747	609	109.8135	7.709	820
466	762	941	0:SP3_SP2_SP2	C[6,6]	C[6,6]	N	4:3:3:2:	4:4:3:	4:2:	C[6,6]-4:C[6,6]-3:C[6]-3:N-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N-2:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN)	C[6,6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(C[6]C[6]N)	N(C[6,6]C[6,6]2C[6])(NN)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN){1|C<3>,2|N<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N(C[6,6]C[6,6]2C[6])(NN)	111.7660	0.000	1	111.7660	0.000	1	111.7660	0.000	1	111.7660	0.000	1	111.7660	0.000	1	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6,6]	C[6]	N	4:3:3:2:	4:3:1:	4:2:	C[6,6]-4:C[6,6]-3:C[6]-3:N-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N-2:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN)	C[6](C[6,6]C[6,6]2N)(C[6]C[6]N)(H)	N(C[6,6]C[6,6]2C[6])(NN)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(NN){1|C<3>,2|N<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2N)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N(C[6,6]C[6,6]2C[6])(NN)	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	2:3:4:2:	2:4:1:	4:3:	O[6]-2:C[6]-3:C-4:N-2:	O[6]-2:C[6]-4:O-1:	C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]O[6]O)(CCCH)(NC)	C[6](O[6]C[6,6a])(C[6]O[6]CN)(O)	N(C[6]C[6]O[6]C)(CC[6]O)	C[6](O[6]C[6,6a])(C[6]O[6]O)(CCCH)(NC){2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]CN)(O){2|C<3>}	N(C[6]C[6]O[6]C)(CC[6]O)	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	3:2:2:1:	4:3:4:	4:4:	C[6]-3:O[6]-2:N-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:S-4:	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H)	C[6](C[6]O[6]HN)(C[6]O[6]H)(CH3)	N(C[6]C[6]O[6]H)(SCOO)	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HN)(C[6]O[6]H)(CH3){1|C<4>}	N(C[6]C[6]O[6]H)(SCOO)	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	3:3:2:1:	4:3:1:	4:2:	C[6]-3:C[6]-3:N-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N-2:	C[6](C[6]N[6]O)2(NN)(H)	C[6](C[6]C[6]HN)(N[6]C[6]H)(O)	N(C[6]C[6]2H)(NC[5a])	C[6](C[6]N[6]O)2(NN)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N(C[6]C[6]2H)(NC[5a])	120.3150	5.865	2	120.3150	34.395	2	120.3150	34.395	2	120.3150	34.395	2	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	3:3:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]C)(COO)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]C)(COO){2|C<3>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	3:3:4:2:	4:3:1:	4:3:	C[6]-3:C[6]-3:C-4:N-2:	C[6]-4:C[6]-3:Br-1:	C[6]-4:S-3:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS)	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br)	N(C[6]C[6]2C)(SCO)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS){1|C<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2C)(SCO)	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.7100	0.914	2	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	3:3:4:2:	4:3:1:	4:3:	C[6]-3:C[6]-3:C-4:N-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:S-3:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	N(C[6]C[6]2C)(SCO)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NS){1|C<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<1>}	N(C[6]C[6]2C)(SCO)	110.3860	0.000	1	110.3860	0.000	1	110.3860	0.000	1	109.7100	0.914	2	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	3:4:2:1:	3:4:1:	4:2:	C[6]-3:C[6]-4:N-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:N-2:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N(C[6]C[6]2H)(NN)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	N(C[6]C[6]2H)(NN)	106.4760	0.000	1	108.3715	7.186	2	108.3715	7.186	2	108.3715	7.186	2	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	3:4:2:1:	3:4:1:	4:2:	C[6]-3:C[6]-4:N-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:N-2:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N(C[6]C[6]2H)(NN)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	N(C[6]C[6]2H)(NN)	110.2670	0.000	1	108.3715	7.186	2	108.3715	7.186	2	108.3715	7.186	2	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	3:4:2:1:	3:4:1:	4:3:	C[6]-3:C[6]-4:N-2:H-1:	N[6,6a]-3:C[6]-4:O-1:	C[6]-4:C-3:	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H)	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O)	N(C[6]C[6]2H)(COO)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H){1|B<3>,1|N<2>}	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(COO)	113.1980	0.000	1	113.1980	0.000	1	113.1980	0.000	1	113.1980	0.000	1	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	3:4:2:1:	3:4:3:	3:4:	C[6]-3:C[6]-4:N-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[5]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)	N(C[5]N[5]S[5])(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	N(C[5]N[5]S[5])(C[6]C[6]2H)	108.7310	0.535	4	108.7310	0.286	4	108.7310	0.286	4	108.7310	0.286	4	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	3:4:3:2:	4:4:1:	4:2:	C[6a]-3:C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-4:O-1:	C[6]-4:C-2:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]CH)(O)	N(C[6]C[6a]C[6]2)(CS)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	N(C[6]C[6a]C[6]2)(CS)	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	4:3:2:1:	4:2:1:	4:3:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:N[6]-2:O-1:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NC)(H)	C[6](C[6]C[6]HN)(N[6]S[6])(O)	N(C[6]C[6]2H)(COO)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NC)(H){1|S<4>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]S[6])(O){1|O<1>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(COO)	110.2730	0.000	1	110.2730	0.000	1	110.2730	0.000	1	110.2730	0.000	1	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	4:3:2:1:	4:3:1:	4:2:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(NN)	109.0710	0.000	1	109.8900	1.342	2	109.8900	1.342	2	109.8900	1.342	2	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	4:3:2:1:	4:3:1:	4:2:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	N(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	110.7090	0.000	1	109.8900	1.342	2	109.8900	1.342	2	109.8900	1.342	2	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	4:3:2:1:	4:3:1:	4:3:	C[5,6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(Br)	N(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[5,6]C[6]H)(CCO)	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	4:3:2:1:	4:3:3:	3:4:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CP[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(CP[6]C){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)	112.5050	0.000	1	112.5050	0.000	1	112.5050	0.000	1	112.5050	0.000	1	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	4:3:3:2:	4:3:1:	4:1:	C[6]-4:C[6a]-3:C[6]-3:N-2:	C[6]-4:N[6]-3:O-1:	C[6]-4:C-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC)	C[6](C[6]C[6a]C[6]N)(N[6]C[6]H)(O)	N(C[6]C[6a]C[6]2)(C)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC){4|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]N)(N[6]C[6]H)(O){1|H<1>,5|C<3>}	N(C[6]C[6a]C[6]2)(C)	104.3240	0.000	1	104.3240	0.000	1	104.3240	0.000	1	104.3240	0.000	1	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	4:3:4:2:	3:4:1:	4:2:	C[5]-4:C[6]-3:C[6]-4:N-2:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:N-2:	C[6](C[5]C[5,6a]C[5]N)(C[6]C[6,6a]O)(C[6]O[6]HH)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]N)(O)	N(C[6]C[5]C[6]2)(NN)	C[6](C[5]C[5,6a]C[5]N)(C[6]C[6,6a]O)(C[6]O[6]HH)(NN){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]N)(O){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	N(C[6]C[5]C[6]2)(NN)	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	4:3:4:2:	4:2:1:	4:2:	C[5,6]-4:C[6]-3:C-4:N-2:	C[6]-4:O[6]-2:O-1:	C[6]-4:N-2:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	C[6](C[6]C[5,6]CN)(O[6]C[6])(O)	N(C[6]C[5,6]C[6]C)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CN)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[5,6]C[6]C)(NN)	110.6385	0.448	2	110.0652	0.781	4	110.0652	0.781	4	108.7048	9.840	5	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	4:3:4:2:	4:2:1:	4:2:	C[5,6]-4:C[6]-3:C-4:N-2:	C[6]-4:O[6]-2:O-1:	C[6]-4:N-2:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	C[6](C[6]C[5,6]CN)(O[6]C[6])(O)	N(C[6]C[5,6]C[6]C)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CN)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[5,6]C[6]C)(NN)	108.8480	0.000	1	110.0652	0.781	4	110.0652	0.781	4	108.7048	9.840	5	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	4:3:4:2:	4:2:1:	4:2:	C[5,6]-4:C[6]-3:C-4:N-2:	C[6]-4:O[6]-2:O-1:	C[6]-4:N-2:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN)	C[6](C[6]C[5,6]CN)(O[6]C[6])(O)	N(C[6]C[5,6]C[6]C)(NN)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(NN){1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CN)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[5,6]C[6]C)(NN)	110.1360	0.000	1	110.0652	0.781	4	110.0652	0.781	4	108.7048	9.840	5	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	4:3:4:2:	4:2:1:	4:2:	C[6,6]-4:C[6]-3:C-4:N-2:	C[6]-4:O[6]-2:O-1:	C[6]-4:N-2:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(NN)	C[6](C[6]C[6,6]CN)(O[6]C[6,6])(O)	N(C[6]C[6,6]C[6]C)(NN)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(NN){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CN)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	N(C[6]C[6,6]C[6]C)(NN)	103.2630	0.000	1	103.2630	0.000	1	103.2630	0.000	1	108.7048	9.840	5	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	4:3:4:2:	4:3:1:	4:1:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:N[6]-3:O-1:	C[6]-4:C-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC)	C[6](C[6]C[6]CN)(N[6]C[6]H)(O)	N(C[6]C[6]2C)(C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC){2|H<1>,3|C<3>}	C[6](C[6]C[6]CN)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	N(C[6]C[6]2C)(C)	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	4:3:4:2:	4:3:1:	4:4:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS){1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(SC[6a]OO)	110.8280	1.823	2	111.1223	1.921	3	111.1223	1.921	3	111.1223	1.921	3	110.2992	14.146	31	110.2498	13.626	33
466	762	941	0:SP3_SP2_SP2	C[6]	C[6]	N	4:3:4:2:	4:3:1:	4:4:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	N(C[6]C[6]2C)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS){2|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(SC[6a]OO)	111.7110	0.000	1	111.1223	1.921	3	111.1223	1.921	3	111.1223	1.921	3	110.2992	14.146	31	110.2498	13.626	33
466	762	944	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	I	3:4:3:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:I-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(I)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2I)(O)	I(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(I){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2I)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	I(C[6,6]C[6,6]C[6]2)	107.0510	0.000	1	107.0510	0.000	1	107.0510	0.000	1	107.0510	0.000	1	107.0510	0.000	1	107.8833	2.662	6
466	762	944	0:SP3_SP-NON_SP2	C[6,6]	C[6]	I	3:4:3:1:	4:3:2:	4:	C[6,6]-3:C[6]-4:C[6]-3:I-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(I)	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]Si)(OC)	I(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(I){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]Si)(OC){2|O<1>,4|C<4>}	I(C[6,6]C[6,6]C[6]2)	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	107.8833	2.662	6
466	762	944	0:SP3_SP-NON_SP2	C[6]	C[6]	I	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:I-1:I-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(I)2	C[6](C[6]C[6]II)(N[6]C[6]C)(O)	I(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]N[6]O)(I)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]II)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	I(C[6]C[6]2I)	106.7310	0.614	2	106.7310	0.377	2	106.7310	0.377	2	106.7310	0.377	2	107.9913	4.137	4	107.8833	2.662	6
466	762	944	0:SP3_SP-NON_SP2	C[6]	C[6]	I	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:I-1:	C[3,5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[3,5,6]O)(H)(I)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[5,6,6]HI)(O)	I(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[3,5,6]O)(H)(I){1|H<1>,1|O<1>,8|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[5,6,6]HI)(O){1|C<3>,3|H<1>,5|C<4>}	I(C[6]C[5,6,6]C[6]H)	107.5660	0.000	1	107.5660	0.000	1	107.5660	0.000	1	109.2515	5.682	2	107.9913	4.137	4	107.8833	2.662	6
466	762	944	0:SP3_SP-NON_SP2	C[6]	C[6]	I	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:I-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)(I)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HI)(O)	I(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)(I){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HI)(O){1|C<4>,2|C<3>,4|H<1>}	I(C[6]C[6]2H)	110.9370	0.000	1	110.9370	0.000	1	110.9370	0.000	1	109.2515	5.682	2	107.9913	4.137	4	107.8833	2.662	6
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:3:3:1:	3:4:2:	4:	C[3x6]-3:C[3x6]-3:C[3x6]-3:H-1:	C[3x6]-3:C[3x6]-4:C[6]-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])3(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a])	H(C[3x6]C[3x6]3)	C[3x6](C[3x6]C[3x6]C[6])3(H){1|C<4>,3|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a]){1|H<1>,1|N<2>,2|C<2>,3|C<3>}	H(C[3x6]C[3x6]3)	112.7080	0.000	1	112.7080	0.000	1	112.7080	0.000	1	112.7080	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:3:3:1:	3:4:3:	4:	C[3x6]-3:C[3x6]-3:C[3x6]-3:H-1:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])3(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O)	H(C[3x6]C[3x6]3)	C[3x6](C[3x6]C[3x6]C[6])3(H){1|C<4>,3|O<1>,6|C<3>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	H(C[3x6]C[3x6]3)	114.4157	0.076	3	114.4157	0.006	3	114.4157	0.006	3	114.4157	0.006	3	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:3:3:1:	3:4:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[5x6]-3:C[3x6]-4:Si[6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H)	C[3x6](C[5x6]C[4x6]C[5x6])(C[3x6]C[6,6,6a]2H)(Si[6]C[6,6a]CC)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H){2|H<1>,4|C<4>,5|C<3>}	C[3x6](C[5x6]C[4x6]C[5x6])(C[3x6]C[6,6,6a]2H)(Si[6]C[6,6a]CC){1|C<4>,8|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	112.5110	0.000	1	112.5110	0.000	1	112.5110	0.000	1	112.5110	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:3:3:1:	4:3:2:	4:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6])	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[3x6]-3:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H)	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	H(C[3x6]C[6,6,6a]C[3x6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H){1|C<4>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]C[3x6]2)	112.7987	0.123	4	112.7987	0.015	4	112.7987	0.015	4	113.3298	0.142	18	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	113.6210	0.000	1	113.7215	0.020	2	113.7215	0.020	2	113.3298	0.142	18	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|N<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	113.8220	0.000	1	113.7215	0.020	2	113.7215	0.020	2	113.3298	0.142	18	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	113.5657	0.157	9	113.5657	0.025	9	113.4415	0.069	12	113.3298	0.142	18	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H){1|Hf<12>,2|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	113.0605	0.105	2	113.0605	0.011	2	113.4415	0.069	12	113.3298	0.142	18	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	113.0860	0.000	1	113.0860	0.000	1	113.4415	0.069	12	113.3298	0.142	18	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:3:3:1:	4:3:4:	4:	C[3x6]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)	H(C[3x6]C[3x6]2C[6,6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[3x6]2C[6,6])	113.2520	0.101	7	113.2520	0.010	7	113.2520	0.010	7	113.2520	0.010	7	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:3:4:1:	4:3:3:	4:	Ge[4,6,6]-3:C[3x6]-3:P[6,6]-4:H-1:	C[3x6]-4:N[3x6]-3:C[6]-3:	C[3x6]-4:	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H)	C[3x6](C[3x6]Ge[4,6,6]P[6,6]H)(N[3x6]Ge[3x6]C[6])(C[6]C[6]H)	H(C[3x6]Ge[4,6,6]C[3x6]P[6,6])	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H){1|Ge<3>,2|Si<4>,1|H<1>,1|P<4>,3|C<3>}	C[3x6](C[3x6]Ge[4,6,6]P[6,6]H)(N[3x6]Ge[3x6]C[6])(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	H(C[3x6]Ge[4,6,6]C[3x6]P[6,6])	106.4040	0.000	1	106.4040	0.000	1	106.4040	0.000	1	106.4040	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:2:1:	4:3:3:	4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O){4|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.5740	0.000	1	110.5740	0.000	1	110.5740	0.000	1	110.5740	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:2:1:	4:3:4:	4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H){2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:2:1:	4:4:3:	4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]C[6]H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]C[6]H){1|Br<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	109.3830	2.996	2	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:2:1:	4:4:3:	4:	C[3x6]-3:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[4,6,6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[6,6])(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6,6]H)	H(C[3x6]C[3x6]C[6,6]O[6])	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[6,6])(H){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6,6]H){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6])	108.1590	0.000	1	108.1590	0.000	1	108.1590	0.000	1	109.3830	2.996	2	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:3:1:	4:4:3:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|Cl<1>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br){2|C<4>,3|C<3>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.5400	0.000	1	111.4065	0.036	2	111.4065	0.036	2	111.4065	0.036	2	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:3:1:	4:4:3:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){2|Br<1>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br){2|C<4>,3|C<3>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.2730	0.000	1	111.4065	0.036	2	111.4065	0.036	2	111.4065	0.036	2	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:4:1:	3:3:4:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[5a,6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[5a,6]C[3x6])(C[6,6]C[6,6]HH)2(H)	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[3x6]C[6,6]2H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5a,6]C[3x6])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[3x6]C[6,6]2H){3|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:4:1:	3:4:3:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6])	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6]){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.8437	0.066	3	110.7460	0.033	6	110.7460	0.033	6	110.7460	0.033	6	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:4:1:	3:4:3:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6])	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6]){1|Ir<6>,1|N<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.6483	0.221	3	110.7460	0.033	6	110.7460	0.033	6	110.7460	0.033	6	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:4:1:	4:3:2:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-3:S[6]-2:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]S[6])(C[6,6]C[6,6]HH)2(H)	C[3x6](C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)(S[6]S[6])	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]S[6])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)(S[6]S[6]){1|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:4:1:	4:3:4:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[6,6]C[6,6]HH)2(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3x6]C[5a,6]C[3x6])(C[3x6]C[6,6]2H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[6,6]C[6,6]HH)2(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3x6]C[5a,6]C[3x6])(C[3x6]C[6,6]2H){1|Cl<1>,1|C<3>,1|S<2>,5|C<4>,8|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.5100	0.000	1	111.5100	0.000	1	111.5100	0.000	1	111.5100	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:4:1:	4:4:3:	4:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H){1|Br<1>,1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br){2|C<4>,3|C<3>,6|H<1>}	H(C[3x6]C[3x6]2C[6])	105.9690	0.000	1	105.8940	0.011	2	106.2963	0.491	3	107.1380	3.161	4	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:4:1:	4:4:3:	4:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]CH)(H){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br){2|C<4>,3|C<3>,6|H<1>}	H(C[3x6]C[3x6]2C[6])	105.8190	0.000	1	105.8940	0.011	2	106.2963	0.491	3	107.1380	3.161	4	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:4:1:	4:4:3:	4:	C[3x6]-3:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H){3|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]2C[6])	107.1010	0.000	1	107.1010	0.000	1	106.2963	0.491	3	107.1380	3.161	4	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	3:4:4:1:	4:4:3:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	107.1380	3.161	4	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	4:3:2:1:	4:3:3:	4:	C[3x6]-4:C[3x6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[3x6]C[6])(O[6,6]C[3x6])(H)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O)	H(C[3x6]C[3x6]2O[6,6])	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[3x6]C[6])(O[6,6]C[3x6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]2O[6,6])	110.4130	0.000	1	110.4130	0.000	1	110.4130	0.000	1	110.4130	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	4:3:3:1:	4:3:2:	4:	C[5,3x6]-4:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:O[6]-2:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H)	C[3x6](C[3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(O[6]C[6])	H(C[3x6]C[5,3x6]C[3x6]C[6,6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	C[3x6](C[3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(O[6]C[6]){1|C<3>,1|O<1>,3|H<1>,6|C<4>}	H(C[3x6]C[5,3x6]C[3x6]C[6,6])	111.8530	0.000	1	111.8530	0.000	1	111.8530	0.000	1	111.8530	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	4:3:3:1:	4:3:3:	4:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	H(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])	112.3720	0.000	1	112.3720	0.000	1	112.3720	0.000	1	112.3720	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[3x6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H)	C[3x6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)	H(C[3x6]C[3x6]C[6,6]N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]H){3|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]N[6,6])	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	4:3:4:1:	4:3:3:	4:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]S[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)(H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	H(C[3x6]C[3x6]2C[6,6])	C[3x6](C[3x6]C[3x6]S[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	H(C[3x6]C[3x6]2C[6,6])	110.8610	0.270	2	110.8610	0.073	2	110.8610	0.073	2	110.8610	0.073	2	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	4:3:4:1:	4:3:4:	4:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]O[6])(C[6]C[6]HH)	H(C[3x6]C[3x6]2C[6,6])	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]O[6])(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[3x6]C[3x6]2C[6,6])	110.2200	0.000	1	110.2200	0.000	1	110.2200	0.000	1	110.2200	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	4:4:3:1:	3:4:3:	4:	C[6,6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[3x6]-3:C[3x6]-4:C[3x6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[3x6]C[3x6]2)(H)	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[6,6]C[6,6]HH)2(C[3x6]C[3x6]2)(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2){1|S<2>,5|C<4>,6|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.5600	0.000	1	110.5600	0.000	1	110.5600	0.000	1	110.5600	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	4:4:3:1:	4:3:3:	4:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	H(C[3x6]C[4,6,6]C[5,6,6]C[3x6])	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|N<3>,2|O<1>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,4|C<4>,7|H<1>}	H(C[3x6]C[4,6,6]C[5,6,6]C[3x6])	110.9280	0.000	1	110.9280	0.000	1	110.9280	0.000	1	110.9280	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[3x6]	H	4:4:3:1:	4:3:4:	4:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	H(C[3x6]C[4,6,6]C[5,6,6]C[3x6])	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[3x6]C[4,6,6]C[5,6,6]C[3x6])	112.8950	0.000	1	112.8950	0.000	1	112.8950	0.000	1	112.8950	0.000	1	111.7635	4.335	61	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[4x6]	H	3:4:4:1:	4:3:4:	4:	C[4x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5x6]-4:C[4x6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[5x6])(C[6,6]C[6,6]HH)2(H)	C[4x6](C[5x6]C[3x6]S[6,6]2)(C[4x6]C[3x6]C[5x6])(C[3x6]C[6,6]2H)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[4x6]C[5x6])(C[6,6]C[6,6]HH)2(H){2|S<2>,3|C<4>,4|H<1>}	C[4x6](C[5x6]C[3x6]S[6,6]2)(C[4x6]C[3x6]C[5x6])(C[3x6]C[6,6]2H){2|S<2>,5|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	110.7525	0.053	2	110.7525	0.003	2	110.7525	0.003	2	110.7525	0.003	2	109.0947	8.247	3	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[4x6]	H	4:3:4:1:	4:4:3:	4:	C[3x6]-4:C[4x6]-3:C[5,6]-4:H-1:	C[4x6]-4:C[3x6]-4:C[3x6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H)	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2)	H(C[3x6]C[3x6]C[4x6]C[5,6])	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6])(C[5,6]C[5,6]C[5]H)(H){1|Si<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2){3|C<3>,6|H<1>,7|C<4>}	H(C[3x6]C[3x6]C[4x6]C[5,6])	105.7790	0.000	1	105.7790	0.000	1	105.7790	0.000	1	105.7790	0.000	1	109.0947	8.247	3	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:2:2:1:	4:4:3:	4:	C[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C)(O[6,6]C[5,6,6])(O[6,6]C[6,6])(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]O[6,6]2H)(CHH)	H(C[3x6]C[6,6]O[6,6]2)	C[3x6](C[6,6]C[5,6,6]C)(O[6,6]C[5,6,6])(O[6,6]C[6,6])(H){1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]O[6,6]2H)(CHH){3|C<4>,3|H<1>}	H(C[3x6]C[6,6]O[6,6]2)	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:2:1:	4:3:1:	4:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]Cl)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[3x6]C[6,6]2O[6,6])	111.1270	0.000	1	111.1270	0.000	1	111.2013	0.099	3	111.2013	0.099	3	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:2:1:	4:3:1:	4:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(C[3x6]C[6,6]2O[6,6])	111.5460	0.000	1	111.5460	0.000	1	111.2013	0.099	3	111.2013	0.099	3	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:2:1:	4:3:1:	4:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[3x6]C[6,6]2O[6,6])	110.9310	0.000	1	110.9310	0.000	1	111.2013	0.099	3	111.2013	0.099	3	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:2:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH){1|C<3>,1|O<1>,2|C<4>}	H(C[3x6]C[6,6]2O[6,6])	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:2:1:	4:4:1:	4:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]H)(O)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]H)(O){1|C<3>,1|N<3>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	111.1650	0.000	1	111.1650	0.000	1	111.1650	0.000	1	111.1697	0.052	3	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:2:1:	4:4:1:	4:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(O)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(O){3|C<3>,4|C<4>}	H(C[3x6]C[6,6]2O[6,6])	111.4000	0.000	1	111.4000	0.000	1	111.4000	0.000	1	111.1697	0.052	3	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:2:1:	4:4:1:	4:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]OO)(O)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]OO)(O){1|C<3>,1|N<3>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.9440	0.000	1	110.9440	0.000	1	110.9440	0.000	1	111.1697	0.052	3	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:2:1:	4:4:2:	4:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:N-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(NO)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(NO){1|C<3>,1|N<3>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	111.5940	0.000	1	111.5940	0.000	1	111.5940	0.000	1	111.5940	0.000	1	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|S<2>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.1140	0.000	1	112.9887	0.015	3	112.9887	0.015	3	113.2031	0.394	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|Se<2>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9850	0.000	1	112.9887	0.015	3	112.9887	0.015	3	113.2031	0.394	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.8670	0.000	1	112.9887	0.015	3	112.9887	0.015	3	113.2031	0.394	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5x6]C[6])(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[5x6]C[6])(C[3x6]C[6,6]2H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.7640	0.000	1	111.7640	0.000	1	113.1635	0.883	4	113.2031	0.394	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|O<1>,2|C<3>,5|C<4>}	H(C[3x6]C[6,6]3)	113.7120	0.000	1	113.7120	0.000	1	113.1635	0.883	4	113.2031	0.394	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[3x6]C[6,6]3)	113.5890	0.164	2	113.5890	0.027	2	113.1635	0.883	4	113.2031	0.394	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[4x6]C[6a])(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[4x6]C[6a])(C[3x6]C[6,6]2H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[3x6]C[6,6]3)	113.6040	0.092	2	113.6040	0.008	2	113.6040	0.008	2	113.2031	0.394	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.5989	0.182	8	112.6011	0.029	9	112.6011	0.029	9	112.0204	2.082	16	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){1|Se<3>,3|H<1>,7|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6190	0.000	1	112.6011	0.029	9	112.6011	0.029	9	112.0204	2.082	16	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H){1|P<4>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.8593	0.076	4	112.8593	0.006	4	112.8593	0.006	4	112.0204	2.082	16	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[6,6]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H){2|P<4>,4|C<3>}	C[6,6](C[6,6]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|Pd<4>,1|C<4>,2|H<1>,7|C<3>}	H(C[3x6]C[6,6]3)	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	112.0204	2.082	16	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,4|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|N<3>,4|C<3>}	H(C[3x6]C[6,6]3)	108.6810	0.000	1	108.6810	0.000	1	108.8650	0.068	2	112.0204	2.082	16	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,2|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[3x6]C[6,6]3)	109.0490	0.000	1	109.0490	0.000	1	108.8650	0.068	2	112.0204	2.082	16	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:P-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pd)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pd){1|C<4>,1|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9085	0.141	2	112.9085	0.020	2	112.9322	0.012	4	111.6165	4.193	6	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:P-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pt)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pt){1|C<4>,1|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9560	0.116	2	112.9560	0.013	2	112.9322	0.012	4	111.6165	4.193	6	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,4|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<3>,5|C<3>}	H(C[3x6]C[6,6]3)	108.7070	0.000	1	108.7070	0.000	1	108.9850	0.155	2	111.6165	4.193	6	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H)	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,2|C<3>}	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3){1|H<1>,1|N<3>,4|C<3>}	H(C[3x6]C[6,6]3)	109.2630	0.000	1	109.2630	0.000	1	108.9850	0.155	2	111.6165	4.193	6	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:2:1:	4:	N[5,6,6]-3:N[5,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](N[5,6,6]N[5,6,6]C[5])2(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]N[5,6,6]2H)(O[6,6]Nb[3,3x6])(O)	H(C[3x6]N[5,6,6]2C[6,6])	C[3x6](N[5,6,6]N[5,6,6]C[5])2(C[6,6]O[6,6]O)(H){1|Nb<7>,2|C<4>,4|C<3>}	C[6,6](C[3x6]N[5,6,6]2H)(O[6,6]Nb[3,3x6])(O){2|Cl<1>,2|N<3>,4|C<3>}	H(C[3x6]N[5,6,6]2C[6,6])	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[3x6]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3x6]2C[6,6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[3x6]C[3x6]2C[6,6])	113.2763	0.083	4	113.2763	0.007	4	113.2763	0.007	4	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[4x6]H)(H)	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[4x6]H)(H){5|C<3>}	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	113.6885	0.112	2	113.6885	0.013	2	113.6885	0.013	2	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.0080	0.000	1	113.0080	0.000	1	113.9110	2.575	7	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	116.1185	1.324	2	114.0615	2.899	6	113.9110	2.575	7	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.0930	0.182	2	114.0615	2.899	6	113.9110	2.575	7	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9730	0.020	2	114.0615	2.899	6	113.9110	2.575	7	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<2>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.1065	0.076	2	112.9728	0.017	6	112.9728	0.017	6	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(O){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9060	0.093	4	112.9728	0.017	6	112.9728	0.017	6	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6,6])(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6,6])(H){1|O<1>,3|C<3>,4|C<4>}	H(C[3x6]C[6,6,6a]C[6,6]2)	113.3280	0.000	1	113.3280	0.000	1	113.3280	0.000	1	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:Br-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br)(Br)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br)(Br){2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	113.3105	0.098	2	113.3105	0.010	2	113.3105	0.010	2	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|Se<3>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	113.0050	0.000	1	113.0050	0.000	1	114.0338	4.727	9	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Br<1>,1|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	113.3110	0.052	2	113.3110	0.003	2	114.0338	4.727	9	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.2040	0.000	1	114.4462	6.938	6	114.0338	4.727	9	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	116.2440	2.739	3	114.4462	6.938	6	114.0338	4.727	9	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.8705	0.012	2	114.4462	6.938	6	114.0338	4.727	9	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]O)(O)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]O)(O){1|C<4>,1|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	113.3630	0.000	1	113.3630	0.000	1	113.3630	0.000	1	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[5x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[5x6]H)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[3x6]C[6,6]3)	120.1250	0.000	1	120.1250	0.000	1	112.7557	14.604	6	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,1|P<4>,2|C<3>}	H(C[3x6]C[6,6]3)	112.4480	0.000	1	112.4480	0.000	1	112.7557	14.604	6	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(H){1|B<4>,1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[3x6]C[6,6]3)	112.1350	0.017	2	112.1350	0.000	2	112.7557	14.604	6	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[3x6]C[6,6]3)	110.5200	0.000	1	110.5200	0.000	1	112.7557	14.604	6	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]H)(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,2|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(H){1|C<3>,1|C<4>,2|N<3>}	H(C[3x6]C[6,6]3)	109.1710	0.000	1	109.1710	0.000	1	112.7557	14.604	6	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O){1|H<1>,2|C<3>,2|C<4>}	H(C[3x6]C[6,6]3)	113.8320	0.000	1	113.8320	0.000	1	113.6773	0.025	3	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]3)	113.6000	0.120	2	113.6000	0.014	2	113.6773	0.025	3	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:1:	4:	C[6,6]-3:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[3x6]C[6,6]2N[6,6])	112.3925	0.189	2	112.3925	0.036	2	112.3925	0.036	2	113.4340	3.285	43	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:2:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-2:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a])	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.5293	0.143	8	112.5293	0.021	8	112.5293	0.021	8	112.7949	0.653	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:2:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:S-2:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]S)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(SC)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]S)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(SC){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	114.9200	0.000	1	114.9200	0.000	1	114.9200	0.000	1	112.7949	0.653	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[5,6,6]C[5,3x6]C[5])(COO)	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[5,6,6]C[5,3x6]C[5])(COO){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	114.7420	0.000	1	114.7420	0.000	1	114.7420	0.000	1	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|C<4>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9868	0.110	4	112.8193	3.759	10	112.9147	3.152	12	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.4543	3.048	3	112.8193	3.759	10	112.9147	3.152	12	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|Pd<4>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.4610	0.000	1	112.8193	3.759	10	112.9147	3.152	12	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.2490	0.000	1	112.8193	3.759	10	112.9147	3.152	12	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|Cl<1>,1|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	109.1730	0.000	1	112.8193	3.759	10	112.9147	3.152	12	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(CNO)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(CNO){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.0040	0.000	1	113.0040	0.000	1	112.9147	3.152	12	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]S)(COO)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]S)(COO){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.7790	0.000	1	113.7790	0.000	1	112.9147	3.152	12	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2){1|Te<2>,2|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6640	0.000	1	112.6640	0.000	1	112.6867	0.027	10	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2){1|C<2>,2|H<1>,8|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6420	0.000	1	112.6420	0.000	1	112.6867	0.027	10	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.8285	0.112	2	112.6951	0.034	8	112.6867	0.027	10	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){3|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6507	0.189	6	112.6951	0.034	8	112.6867	0.027	10	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Cu)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Cu){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.3395	0.016	2	113.3395	0.000	2	113.1945	0.052	33	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Ni)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Ni){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.1961	0.264	13	113.1961	0.070	13	113.1945	0.052	33	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.3400	0.133	2	113.1773	0.045	18	113.1945	0.052	33	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N)(NC[6a]Pd){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.1570	0.215	16	113.1773	0.045	18	113.1945	0.052	33	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(C[6a]C[6a]2)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(C[6a]C[6a]2){1|Se<3>,4|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.9560	0.000	1	112.9560	0.000	1	112.9560	0.000	1	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O){2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.1190	0.000	1	111.1190	0.000	1	111.6743	2.719	6	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.3930	0.000	1	111.7854	3.307	5	111.6743	2.719	6	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.4080	2.949	2	111.7854	3.307	5	111.6743	2.719	6	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.8590	0.055	2	111.7854	3.307	5	111.6743	2.719	6	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO){1|C<3>,1|O<1>,1|P<4>,2|H<1>}	H(C[3x6]C[6,6]3)	112.4920	0.000	1	112.4920	0.000	1	111.4630	2.102	3	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]C)(COO)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)2(H){1|B<4>,1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]C)(COO){1|N<3>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]3)	112.0920	0.000	1	112.0920	0.000	1	111.4630	2.102	3	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]C)(COO)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H){2|P<4>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]C)(COO){1|Pd<4>,1|C<4>,3|C<3>}	H(C[3x6]C[6,6]3)	109.8050	0.000	1	109.8050	0.000	1	111.4630	2.102	3	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	112.4010	0.000	1	112.4010	0.000	1	110.5300	7.001	2	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(C[6a]C[6a]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]N[6,6]C)2(H){1|Ge<3>,1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[3x6]C[6,6]3)	108.6590	0.000	1	108.6590	0.000	1	110.5300	7.001	2	112.8008	1.401	68	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6358	0.075	4	112.6358	0.006	4	112.4952	0.153	9	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CC[6a]2O)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CC[6a]2O){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.2382	0.466	4	112.2382	0.217	4	112.4952	0.153	9	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(CH3)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(CH3){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9610	0.000	1	112.9610	0.000	1	112.4952	0.153	9	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6])(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6]C[6]2Ru)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6])(H){1|Ru<9>,1|P<4>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6]C[6]2Ru){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.4980	0.000	1	113.4980	0.000	1	113.4980	0.000	1	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(PC[6a]2O)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(PC[6a]2O){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9120	0.000	1	112.9120	0.000	1	112.8114	0.071	19	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6])(PC[6a]2Ru)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6])(PC[6a]2Ru){1|H<1>,2|C<4>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.5190	0.000	1	113.5190	0.000	1	112.8114	0.071	19	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Au)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Au){1|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.1365	0.332	2	113.1365	0.110	2	112.8114	0.071	19	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd){1|C<4>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6223	0.153	4	112.6283	0.016	6	112.8114	0.071	19	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6]2Pd){1|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6405	0.086	2	112.6283	0.016	6	112.8114	0.071	19	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Au)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Au){1|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.8380	0.000	1	112.8380	0.000	1	112.8114	0.071	19	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Pd)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(PC[6a]2Pd){1|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6703	0.066	3	112.6703	0.004	3	112.8114	0.071	19	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(PC[6a]2O)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(PC[6a]2O){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.8188	0.152	5	112.8188	0.023	5	112.8114	0.071	19	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<3>,2|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|C<4>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.6070	0.000	1	110.3933	0.061	11	110.3933	0.061	11	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pd<2>,1|C<4>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.4765	0.303	4	110.3933	0.061	11	110.3933	0.061	11	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pd<5>,1|C<4>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.4515	0.026	2	110.3933	0.061	11	110.3933	0.061	11	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pt<2>,1|C<4>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.2275	0.220	4	110.3933	0.061	11	110.3933	0.061	11	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CHHO)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CHHO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[3x6]C[6,6]3)	113.8440	0.000	1	113.8440	0.000	1	111.8060	8.307	2	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]P)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]C)2(H){2|P<4>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]P)(CH3){1|Pd<4>,4|C<3>}	H(C[3x6]C[6,6]3)	109.7680	0.000	1	109.7680	0.000	1	111.8060	8.307	2	112.0788	1.380	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]O)(H)	C[6,6](C[5,6,6]C[3x6]C[5]2)(C[3x6]C[6,6,6a]2H)(O)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[5,6,6]C[3x6]C[5]2)(C[3x6]C[6,6,6a]2H)(O){1|H<1>,2|O<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.5450	0.000	1	112.5450	0.000	1	112.5450	0.000	1	112.3650	0.055	5	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:4:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O){2|H<1>,3|C<3>}	H(C[3x6]C[6,6]3)	111.9950	0.000	1	111.9950	0.000	1	111.9950	0.000	1	112.3650	0.055	5	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:4:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:P[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CW)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(C[6,6]P[6,6]O)(H){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CW)(O){2|H<1>,3|C<3>}	H(C[3x6]C[6,6]3)	112.4350	0.000	1	112.4350	0.000	1	112.4350	0.000	1	112.3650	0.055	5	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:4:1:	4:	C[6,6]-3:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(O)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	112.4250	0.197	2	112.4250	0.039	2	112.4250	0.039	2	112.3650	0.055	5	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[3x6]C[6a]P[6])(C[3x6]C[6,6,6a]2H)(CHH)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[3x6]C[6a]P[6])(C[3x6]C[6,6,6a]2H)(CHH){1|H<1>,1|O<1>,2|O<2>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	109.9420	8.595	2	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5x6]O[6]O)(C[3x6]C[6,6]2H)(CCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C)(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[5x6]O[6]O)(C[3x6]C[6,6]2H)(CCH){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	107.8690	0.000	1	107.8690	0.000	1	107.8690	0.000	1	109.9420	8.595	2	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:4:1:	3:4:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-4:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]N[5,6,6]O)2(C[6,6]C[6,6]HH)(H)	C[6,6](N[5,6,6]C[5,5,3x6]C[5,6a])(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[5,6,6]O)2(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>}	C[6,6](N[5,6,6]C[5,5,3x6]C[5,6a])(C[3x6]C[6,6]2H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.3980	0.000	1	111.3980	0.000	1	111.3930	0.000	2	111.3930	0.000	2	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:4:1:	3:4:1:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-4:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]N[5,6,6]O)2(C[6,6]C[6,6]HH)(H)	C[6,6](N[5,6,6]C[5,5,3x6]C[5])(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[5,6,6]O)2(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>}	C[6,6](N[5,6,6]C[5,5,3x6]C[5])(C[3x6]C[6,6]2H)(O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.3880	0.000	1	111.3880	0.000	1	111.3930	0.000	2	111.3930	0.000	2	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a])(N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6a])(N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.6590	0.142	4	110.6590	0.020	4	110.6590	0.020	4	110.6590	0.020	4	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:2:1:	3:4:1:	4:	C[6,6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	109.9820	0.000	1	109.9820	0.000	1	109.9820	0.000	1	109.9820	0.000	1	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	3:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	112.0455	0.066	2	112.0455	0.004	2	112.0455	0.004	2	112.0455	0.004	2	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:2:1:	4:	N[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-2:O-1:	C[3x6]-4:	C[3x6](N[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(H)	C[6,6](C[3x6]N[6,6,6a]C[6,6]H)(N[6,6]C[3x6])(O)	H(C[3x6]N[6,6,6a]C[6,6]2)	C[3x6](N[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]N[6,6,6a]C[6,6]H)(N[6,6]C[3x6])(O){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]N[6,6,6a]C[6,6]2)	113.0350	0.000	1	113.0350	0.000	1	113.0350	0.000	1	113.0350	0.000	1	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:2:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(O[6,6]C[3x6])(CCO)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(O[6,6]C[3x6])(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.9710	0.000	1	111.9710	0.000	1	111.9710	0.000	1	111.9775	0.000	2	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:2:3:	4:	C[6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-2:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6])(C[6a]C[6a]2)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	111.9775	0.000	2	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	As[4x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](As[4x6]C[3x6]P[4x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]As[4x6]C[6,6]2)	C[3x6](As[4x6]C[3x6]P[4x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|W<6>,3|C<4>,4|H<1>}	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|P<4>,2|C<4>,3|H<1>}	H(C[3x6]As[4x6]C[6,6]2)	109.6110	0.033	2	109.6110	0.001	2	109.6110	0.001	2	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Br)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){2|Br<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Br)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.3240	0.000	1	111.3240	0.000	1	111.4500	0.032	2	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[3x6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Cl)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|Cl<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Cl)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.5760	0.000	1	111.5760	0.000	1	111.4500	0.032	2	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.9510	0.223	8	112.9510	0.050	8	112.9510	0.050	8	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	113.0205	0.589	16	113.0205	0.347	16	113.0205	0.347	16	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[3,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[3,6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6,6a]C[3,6,6]C[6,6])	114.3805	2.740	2	114.3805	7.508	2	114.3805	7.508	2	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[4,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[4,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6,6a]C[4,6,6]C[6,6])	112.7790	0.157	2	112.7790	0.025	2	112.7790	0.025	2	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	112.4330	0.000	1	112.4330	0.000	1	112.4006	0.012	9	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	112.4890	0.151	2	112.3821	0.014	7	112.4006	0.012	9	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	112.3100	0.000	1	112.3821	0.014	7	112.4006	0.012	9	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	112.3468	0.097	4	112.3821	0.014	7	112.4006	0.012	9	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	112.4970	0.000	1	112.4970	0.000	1	112.4006	0.012	9	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	114.3400	0.639	2	114.3400	0.409	2	112.6746	0.838	10	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.1440	0.000	1	112.1440	0.000	1	112.6746	0.838	10	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.1420	0.000	1	112.3448	0.024	5	112.6746	0.838	10	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.3955	0.120	4	112.3448	0.024	5	112.6746	0.838	10	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.1170	0.000	1	112.1170	0.000	1	112.6746	0.838	10	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.0810	0.000	1	112.0810	0.000	1	112.6746	0.838	10	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]N[5,6,6]C[6,6]2)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]N[5,6,6]C[6,6]2)	111.2930	0.228	2	111.2930	0.052	2	111.4403	0.091	3	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]N[5,6,6]C[6,6]2)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[3x6]N[5,6,6]C[6,6]2)	111.7350	0.000	1	111.7350	0.000	1	111.4403	0.091	3	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]C)(H)	H(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])	111.6060	0.000	1	111.6060	0.000	1	111.9686	0.023	8	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])	112.0695	0.013	2	112.0695	0.000	2	111.9686	0.023	8	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])	112.0095	0.037	4	112.0008	0.001	5	111.9686	0.023	8	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])	111.9660	0.000	1	112.0008	0.001	5	111.9686	0.023	8	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])	111.2780	0.000	1	111.2780	0.000	1	111.2780	0.000	1	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:1:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,3|H<1>,4|B<6>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|C<5>,1|O<2>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	112.4883	0.991	64	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO)	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	112.6880	0.083	2	112.7000	0.003	4	112.7000	0.003	4	111.0769	2.613	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO)	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	112.7120	0.010	2	112.7000	0.003	4	112.7000	0.003	4	111.0769	2.613	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]H)(C[6]O[6]O)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	111.0769	2.613	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CC[6a]H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.0167	0.067	3	110.0167	0.004	3	110.0840	0.021	4	111.0769	2.613	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.2860	0.000	1	110.2860	0.000	1	110.0840	0.021	4	111.0769	2.613	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:3:4:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.8340	0.000	1	110.8340	0.000	1	110.8340	0.000	1	110.8340	0.000	1	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(O){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	112.0250	0.017	2	112.0250	0.000	2	112.0250	0.000	2	109.2263	4.742	6	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:	4:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O){2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]N[4x6]C[6])	108.1160	0.000	1	107.8270	0.071	4	107.8270	0.071	4	109.2263	4.742	6	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:3:1:	4:4:1:	4:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O){2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]N[4x6]C[6])	107.7307	0.224	3	107.8270	0.071	4	107.8270	0.071	4	109.2263	4.742	6	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	3:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)2(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2){4|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	3:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)2(H){2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(CH3){1|N<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.3860	0.000	1	110.3860	0.000	1	110.3860	0.000	1	110.1242	0.236	12	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	3:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5]-3:C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[5]C[5,6a]C[5])(C[3x6]C[6,6]2H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5]C[5,6a]C[5])(C[3x6]C[6,6]2H)2{2|C<4>,3|C<3>,9|H<1>}	H(C[3x6]C[6,6]3)	109.9205	0.153	2	109.9205	0.024	2	109.9205	0.024	2	110.1242	0.236	12	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	3:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)2{10|H<1>,6|C<4>}	H(C[3x6]C[6,6]3)	110.2565	0.689	2	110.2565	0.475	2	110.2565	0.475	2	110.1242	0.236	12	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	3:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:C[4x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H){8|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.3307	0.878	3	110.3307	0.771	3	110.3307	0.771	3	110.1242	0.236	12	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	3:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6]-3:C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2{1|O<1>,2|C<4>,3|C<3>,8|H<1>}	H(C[3x6]C[6,6]3)	110.0270	0.105	2	109.9395	0.034	4	109.9395	0.034	4	110.1242	0.236	12	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	3:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6]-3:C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2{2|C<4>,3|C<3>,9|H<1>}	H(C[3x6]C[6,6]3)	109.8520	0.247	2	109.9395	0.034	4	109.9395	0.034	4	110.1242	0.236	12	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:N[5]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	111.4230	0.000	1	111.4230	0.000	1	111.1090	0.030	6	111.1090	0.030	6	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:N[5]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	111.0850	0.000	1	111.0850	0.000	1	111.1090	0.030	6	111.1090	0.030	6	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:N[5]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2){1|N<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.9530	0.000	1	110.9530	0.000	1	111.1090	0.030	6	111.1090	0.030	6	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:N[5]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	111.0643	0.101	3	111.0643	0.010	3	111.1090	0.030	6	111.1090	0.030	6	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[5]-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5,5]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5,5]2){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	H(C[3x6]C[6,6]3)	109.9145	0.117	2	109.9145	0.014	2	110.1217	0.019	10	109.7583	0.587	22	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[5]-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.2110	0.059	6	110.2110	0.003	6	110.1217	0.019	10	109.7583	0.587	22	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[5]-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]P[5]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[5])(C[6,6]C[3x6]HH)2(H){2|P<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]P[5]2){2|C<4>,4|C<3>,8|H<1>}	H(C[3x6]C[6,6]3)	110.0610	0.045	2	110.0610	0.002	2	110.1217	0.019	10	109.7583	0.587	22	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2){1|O<2>,6|C<4>,9|H<1>}	H(C[3x6]C[6,6]3)	109.8970	0.085	2	109.8970	0.007	2	109.7225	0.043	8	109.7583	0.587	22	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2){10|H<1>,6|C<4>}	H(C[3x6]C[6,6]3)	109.5858	0.207	4	109.6643	0.042	6	109.7225	0.043	8	109.7583	0.587	22	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[6,6]C[3x6]2){1|O<2>,6|C<4>,9|H<1>}	H(C[3x6]C[6,6]3)	109.8215	0.087	2	109.6643	0.042	6	109.7225	0.043	8	109.7583	0.587	22	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(C[6,6]C[3x6]2)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]C[6,6])(C[6,6]C[4x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(C[6,6]C[3x6]2){8|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.2160	0.000	1	110.2160	0.000	1	110.2160	0.000	1	109.7583	0.587	22	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:N[6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6]N[6])(C[6,6]C[6]2H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]N[6])(C[6,6]C[6]2H)2(H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	106.6090	0.000	1	106.6090	0.000	1	106.6090	0.000	1	109.7583	0.587	22	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[3x6]C[6,6]2H)(CCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[3x6]C[6,6]2H)(CCH){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	109.4305	0.432	2	109.4305	0.187	2	109.4305	0.187	2	109.7583	0.587	22	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:2:3:1:	4:3:1:	4:	C[6,6]-4:O[6,6]-2:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(O[6,6]C[5,6,6])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,4x6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[5,3x6]HH)(O[6,6]C[5,6,6])(C[6,6]C[6,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,4x6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	114.6020	0.000	1	114.6020	0.000	1	114.6020	0.000	1	114.6020	0.000	1	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:2:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]O)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(O)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]O)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(O){1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-2:H-1:	C[3x6]-4:N[5,6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[5,6,6]C[5,3x6]C[5])(O)	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[5,6,6]C[5,3x6]C[5])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:Br-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]Br)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(Br)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]Br)(O[6,6]C[6,6])(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(Br){1|C<3>,1|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	111.4950	0.000	1	111.4950	0.000	1	111.4950	0.000	1	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	110.9385	0.037	2	110.9385	0.001	2	110.9385	0.001	2	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[3x6]H)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[3x6]H)(O[6,6]O[6,6])(H){2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(H){2|C<4>,3|H<1>,3|O<2>}	H(C[3x6]C[6,6]2O[6,6])	110.0940	0.000	1	110.0940	0.000	1	110.0940	0.000	1	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.8355	0.020	6	109.8355	0.000	6	110.8123	3.009	38	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]2H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]2H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	109.9705	0.424	2	109.9705	0.179	2	110.8123	3.009	38	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[3x6]C[6,6]2O[6,6])	110.5705	0.368	2	110.5705	0.136	2	110.8123	3.009	38	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.8820	0.000	1	111.1810	4.891	13	110.8123	3.009	38	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	111.2713	2.409	11	111.1810	4.891	13	110.8123	3.009	38	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	110.4870	0.000	1	111.1810	4.891	13	110.8123	3.009	38	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.2770	0.000	1	110.2770	0.000	1	110.8123	3.009	38	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a])(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.1025	0.057	4	110.1025	0.003	4	110.8123	3.009	38	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.9430	1.226	5	110.8087	1.310	6	110.8123	3.009	38	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<4>,1|C<5>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.1370	0.000	1	110.8087	1.310	6	110.8123	3.009	38	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	112.6960	3.878	2	112.6960	15.037	2	110.8123	3.009	38	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	112.2440	2.861	2	112.2440	8.185	2	110.8123	3.009	38	110.7685	2.713	44	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(CC[6a]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	111.0100	0.000	1	111.0100	0.000	1	110.7950	0.016	5	110.7915	0.068	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	110.7800	0.000	1	110.7413	0.002	4	110.7950	0.016	5	110.7915	0.068	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	110.7750	0.000	1	110.7413	0.002	4	110.7950	0.016	5	110.7915	0.068	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	110.7050	0.044	2	110.7413	0.002	4	110.7950	0.016	5	110.7915	0.068	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(CHO)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(CHO){5|C<4>}	H(C[3x6]C[6,6]2O[6,6])	110.5490	0.000	1	110.5490	0.000	1	110.7880	0.136	5	110.7915	0.068	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.8477	0.398	4	110.8477	0.158	4	110.7880	0.136	5	110.7915	0.068	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:2:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(O)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<4>,1|N<3>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.0087	0.528	8	110.0087	0.279	8	110.0087	0.279	8	110.0087	0.279	8	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[3x6]C[6,6]3)	112.4270	0.000	1	112.4330	0.001	3	112.3093	0.062	4	112.4784	1.787	14	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[3x6]C[6,6]3)	112.4660	0.000	1	112.4330	0.001	3	112.3093	0.062	4	112.4784	1.787	14	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[3x6]C[6,6]3)	112.4060	0.000	1	112.4330	0.001	3	112.3093	0.062	4	112.4784	1.787	14	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]Si)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]Si)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|Si<4>,2|C<3>,2|O<2>,4|C<4>}	H(C[3x6]C[6,6]3)	111.9380	0.000	1	111.9380	0.000	1	112.3093	0.062	4	112.4784	1.787	14	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.7460	0.000	1	111.7460	0.000	1	112.6867	2.639	9	112.4784	1.787	14	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[3x6]C[6,6]3)	113.0160	0.000	1	113.0160	0.000	1	112.6867	2.639	9	112.4784	1.787	14	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.7350	0.000	1	111.7350	0.000	1	112.6867	2.639	9	112.4784	1.787	14	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|O<1>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	112.3640	0.000	1	112.3640	0.000	1	112.6867	2.639	9	112.4784	1.787	14	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.9205	0.153	2	111.9205	0.024	2	112.6867	2.639	9	112.4784	1.787	14	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	112.2975	0.006	2	112.2975	0.000	2	112.6867	2.639	9	112.4784	1.787	14	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[6,6]C[6,6]I)(H)	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[6,6]C[6,6]I)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(H){1|H<1>,1|I<1>,2|O<2>,4|C<3>}	H(C[3x6]C[6,6]3)	116.8830	0.000	1	116.8830	0.000	1	112.6867	2.639	9	112.4784	1.787	14	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H)	C[6,6](N[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H){1|C<2>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[3x6]C[6,6]3)	111.2810	0.000	1	111.2810	0.000	1	111.2810	0.000	1	112.4784	1.787	14	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:N-3:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(NHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H){1|C<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(NHH){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.3350	0.000	1	111.3350	0.000	1	111.3350	0.000	1	111.3350	0.000	1	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]P[3x6]HH)(C[6,6]C[3x6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4x6]N[5,6])(C[3x6]C[6,6]2H)(CCCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]P[3x6]HH)(C[6,6]C[3x6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[3x6]C[4x6]N[5,6])(C[3x6]C[6,6]2H)(CCCH){1|P<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.6185	0.030	2	111.6185	0.001	2	111.6185	0.001	2	111.5007	0.042	3	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	3:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,5,6,6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,5,6,6]O)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.2650	0.000	1	111.2650	0.000	1	111.2650	0.000	1	111.5007	0.042	3	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:2:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.6940	0.000	1	111.6940	0.000	1	111.8900	0.018	4	111.7506	0.073	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:2:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O){1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.9700	0.042	2	111.9700	0.002	2	111.8900	0.018	4	111.7506	0.073	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:2:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.9260	0.000	1	111.9260	0.000	1	111.8900	0.018	4	111.7506	0.073	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[4x6])(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[4x6])(O){1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]3)	111.7380	0.000	1	111.7380	0.000	1	111.7440	0.063	5	111.7506	0.073	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.6545	0.298	2	111.6545	0.089	2	111.7440	0.063	5	111.7506	0.073	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:2:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.8365	0.359	2	111.8365	0.129	2	111.7440	0.063	5	111.7506	0.073	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:2:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(O[6,6]C[3x6])(O)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(N[6,6]C[6,6]C)(H){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(O[6,6]C[3x6])(O){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	111.7506	0.073	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[3,5,6,6]-4:N[5a,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3,5,6,6]C[3,6,6]C[3,5]C[5])(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,5,6,6]N[5a,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3,5,6,6]N[5a,6,6]C[6,6])	C[3x6](C[3,5,6,6]C[3,6,6]C[3,5]C[5])(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[3,5,6,6]N[5a,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[3x6]C[3,5,6,6]N[5a,6,6]C[6,6])	111.9090	0.000	1	111.9090	0.000	1	111.9090	0.000	1	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]Cl)(N[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]H)(Cl)	H(C[3x6]C[3,6,6]C[6,6]N[6,6])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]Cl)(N[6,6]O[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]H)(Cl){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[3x6]C[3,6,6]C[6,6]N[6,6])	111.9530	0.000	1	111.9530	0.000	1	111.9530	0.000	1	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[3,6,6]-4:N[5a,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,5,6,6]C[3,5]H)(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])	C[3x6](C[3,6,6]C[3,5,6,6]C[3,5]H)(N[5a,6,6]N[5a,6,6]C[5a])(C[6,6]C[6,6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])	111.8010	0.000	1	111.8010	0.000	1	111.8010	0.000	1	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.9260	0.000	1	111.9455	0.001	2	111.9455	0.001	2	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.9650	0.000	1	111.9455	0.001	2	111.9455	0.001	2	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[4,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[4,5,6,6]C[6,6]2)	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	H(C[3x6]C[4,5,6,6]C[6,6]2)	113.2390	0.184	2	113.2390	0.034	2	113.2390	0.034	2	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[5,3x6]C[6,6])	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6,6a]C[5,3x6]C[6,6])	113.7788	1.838	4	113.7788	3.380	4	113.7788	3.380	4	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O)	H(C[3x6]C[5,5,6,6]C[6,6]2)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O){2|C<3>,4|C<4>}	H(C[3x6]C[5,5,6,6]C[6,6]2)	111.6800	0.000	1	111.6800	0.000	1	111.6800	0.000	1	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	112.4035	0.056	2	112.4035	0.003	2	112.4035	0.003	2	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.6010	0.000	1	111.6010	0.000	1	112.4611	0.643	12	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.7060	0.000	1	111.7060	0.000	1	112.4611	0.643	12	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.9430	0.000	1	111.9430	0.000	1	112.4611	0.643	12	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	114.4220	0.000	1	112.9003	0.803	6	112.4611	0.643	12	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.1050	0.000	1	112.9003	0.803	6	112.4611	0.643	12	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.7188	0.559	4	112.9003	0.803	6	112.4611	0.643	12	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.9700	0.000	1	111.9700	0.000	1	112.4611	0.643	12	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.4555	0.291	2	112.4555	0.084	2	112.4611	0.643	12	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	111.4610	0.000	1	111.4610	0.000	1	111.4610	0.000	1	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6a]S[6,6]C[5])(C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	C[3x6](C[5,6,6]C[5,6a]S[6,6]C[5])(C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:N[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(N[3x6]C[3x6]C[6])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]N[3x6]H)(C[6,6]C[3x6]N)(H)	H(C[3x6]C[5,6,6]C[6,6]N[3x6])	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(N[3x6]C[3x6]C[6])(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[6,6](C[3x6]C[5,6,6]N[3x6]H)(C[6,6]C[3x6]N)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[3x6]C[5,6,6]C[6,6]N[3x6])	110.3740	0.000	1	110.3740	0.000	1	110.3740	0.000	1	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]N[5,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]N[5,6,6]C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]N[5,6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]N[5,6,6]C[6,6])	111.5150	0.000	1	111.5150	0.000	1	111.5150	0.000	1	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:N[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]C)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[3x6]C[6,6]3)	111.6420	0.000	1	111.6420	0.000	1	113.3361	52.892	14	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|B<4>,1|C<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[3x6]C[6,6]3)	110.1630	1.287	2	110.1630	1.656	2	113.3361	52.892	14	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<4>,1|N<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	138.4990	0.000	1	138.4990	0.000	1	113.3361	52.892	14	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[3x6]C[6,6]3)	111.6340	0.315	2	111.6340	0.099	2	113.3361	52.892	14	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[3x6]C[6,6]3)	111.8770	0.314	2	111.8770	0.099	2	113.3361	52.892	14	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.4190	0.000	1	111.4190	0.000	1	113.3361	52.892	14	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.5095	0.175	2	111.5095	0.031	2	113.3361	52.892	14	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HS)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HS)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(H){1|O<1>,1|S<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.5070	0.000	1	111.5070	0.000	1	113.3361	52.892	14	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]P[3x6]HH)(C[6,6]C[3x6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]P[3x6]HH)(C[6,6]C[3x6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.6355	0.049	2	111.6355	0.002	2	113.3361	52.892	14	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:I-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[6,6]C[6,6]I)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(I)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[6,6]C[6,6]I)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(I){2|C<3>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]3)	111.5530	0.000	1	111.5530	0.000	1	111.5530	0.000	1	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]N[6,6]O)2(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[4x6]H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6a]H)(C[6,6]N[6,6]O)2(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[4x6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[3x6]C[6,6]3)	111.5850	0.040	4	111.5850	0.002	4	111.6920	0.018	8	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[3x6]C[6,6]3)	111.7195	0.035	2	111.7990	0.009	4	111.6920	0.018	8	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(H){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.8785	0.006	2	111.7990	0.009	4	111.6920	0.018	8	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[3x6]C[6,6]2N[6,6])	111.1410	0.000	1	111.1410	0.000	1	111.4265	0.766	11	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	111.4160	0.000	1	111.4160	0.000	1	111.4265	0.766	11	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,1|H<1>,1|N<2>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.1630	0.000	1	111.1630	0.000	1	111.4265	0.766	11	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.6260	0.000	1	111.6260	0.000	1	111.4265	0.766	11	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5])(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5])(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.6870	0.000	1	110.6870	0.000	1	111.4265	0.766	11	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.7230	1.259	5	111.7230	1.585	5	111.4265	0.766	11	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(H){1|H<1>,2|C<3>,3|O<2>}	H(C[3x6]C[6,6]2N[6,6])	111.0430	0.000	1	111.0430	0.000	1	111.4265	0.766	11	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.7870	0.000	1	110.8645	0.012	2	110.8153	0.013	3	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.9420	0.000	1	110.8645	0.012	2	110.8153	0.013	3	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.7170	0.000	1	110.7170	0.000	1	110.8153	0.013	3	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	P[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](P[6,6]C[6,6]CW)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2P[6,6])	C[3x6](P[6,6]C[6,6]CW)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|H<1>,1|W<6>,3|C<3>}	H(C[3x6]C[6,6]2P[6,6])	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	Si[4,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6]-4:	C[3x6](Si[4,6,6]Si[4,3x6]Si[4,4]Si[4])(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(H)	H(C[3x6]Si[4,6,6]C[6,6]2)	C[3x6](Si[4,6,6]Si[4,3x6]Si[4,4]Si[4])(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|Si<4>,1|Si<5>,1|C<4>,1|H<1>,1|O<2>,3|C<3>,3|N<3>}	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(H){1|Si<5>,2|Si<4>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[3x6]Si[4,6,6]C[6,6]2)	111.3950	0.000	1	111.3950	0.000	1	111.3950	0.000	1	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	Si[4,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](Si[4,6,6]Si[4,3x6]Si[4,4]Si[4])(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H)	H(C[3x6]Si[4,6,6]C[6,6]2)	C[3x6](Si[4,6,6]Si[4,3x6]Si[4,4]Si[4])(C[6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|Si<4>,1|Si<5>,1|C<4>,1|H<1>,1|O<2>,3|C<3>,3|N<3>}	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H){1|Si<5>,2|Si<4>,1|C<3>,2|H<1>}	H(C[3x6]Si[4,6,6]C[6,6]2)	111.4820	0.000	1	111.4820	0.000	1	111.4820	0.000	1	112.1937	11.064	71	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:2:	4:	C[4,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-2:	C[3x6]-4:	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CC)	H(C[3x6]C[4,5,6,6]C[6,6]2)	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CC){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[4,5,6,6]C[6,6]2)	113.2110	0.158	2	113.2110	0.025	2	113.2110	0.025	2	112.8300	0.248	4	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:2:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-2:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CN)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CN){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.4490	0.371	2	112.4490	0.137	2	112.4490	0.137	2	112.8300	0.248	4	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(CC[6a]O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(CC[6a]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	111.4193	1.765	3	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H){3|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	111.4193	1.765	3	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	P[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](P[6,6]C[6,6]CW)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]C)(COO)	H(C[3x6]C[6,6]2P[6,6])	C[3x6](P[6,6]C[6,6]CW)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]2P[6,6])	112.2480	0.000	1	112.2480	0.000	1	112.2480	0.000	1	111.4193	1.765	3	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.6040	0.316	3	111.6040	0.100	3	111.6040	0.100	3	111.7217	1.792	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[5]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[5])(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[5]C[5]2C)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[5])(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[5]C[5]2C){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	110.9660	0.000	1	110.9660	0.000	1	110.9660	0.000	1	111.7217	1.792	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CCHO)	H(C[3x6]C[5,5,6,6]C[6,6]2)	C[3x6](C[5,5,6,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CCHO){1|O<1>,2|C<3>,3|C<4>}	H(C[3x6]C[5,5,6,6]C[6,6]2)	111.7210	0.000	1	111.7210	0.000	1	111.7210	0.000	1	111.7217	1.792	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCCH)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCCH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	114.8720	0.000	1	114.8720	0.000	1	114.8720	0.000	1	111.7217	1.792	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:Si-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]Si)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(SiC3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]Si)(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(SiC3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[3x6]C[6,6]3)	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	111.7217	1.792	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	111.3520	0.000	1	111.3520	0.000	1	110.6105	1.100	2	111.7217	1.792	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH){1|C<3>,1|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.8690	0.000	1	109.8690	0.000	1	110.6105	1.100	2	111.7217	1.792	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.6250	0.358	3	111.6250	0.128	3	111.6358	0.211	6	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[5])(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[5])(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.9210	0.000	1	110.9210	0.000	1	111.6358	0.211	6	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CF)(O)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CF)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.9440	0.000	1	111.9440	0.000	1	111.6358	0.211	6	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	112.0750	0.000	1	112.0750	0.000	1	111.6358	0.211	6	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[5,3x6]-4:C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6]C[3x6]CO)(O)	H(C[3x6]C[5,3x6]C[3x6]C[6,6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]O[6])(C[6,6]C[6,6]O)(H){1|C<3>,2|O<2>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6]C[3x6]CO)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[3x6]C[5,3x6]C[3x6]C[6,6])	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]OO)(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]OO)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.5550	0.000	1	111.5550	0.000	1	111.6146	1.262	8	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.1700	0.000	1	111.1700	0.000	1	111.6146	1.262	8	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O){1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.1252	1.061	4	112.1252	1.125	4	111.6146	1.262	8	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]OO)(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]OO)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.0760	0.000	1	112.0760	0.000	1	111.6146	1.262	8	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.6150	0.000	1	109.6150	0.000	1	111.6146	1.262	8	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)2(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]H)2(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(H){2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	111.4685	0.015	2	111.4685	0.000	2	111.4685	0.000	2	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(H){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O){2|H<1>,2|O<1>,5|C<4>}	H(C[3x6]C[6,6]3)	110.1630	0.187	2	110.1647	0.021	4	110.9134	0.649	8	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(H){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O){2|O<1>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.1665	0.163	2	110.1647	0.021	4	110.9134	0.649	8	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O){2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.6560	0.000	1	111.6620	0.000	4	110.9134	0.649	8	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(O){2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.6640	0.015	3	111.6620	0.000	4	110.9134	0.649	8	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<4>,1|N<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H){1|C<2>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	104.0800	0.000	1	104.0800	0.000	1	104.0800	0.000	1	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O){1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.2190	0.000	1	111.2190	0.000	1	111.6653	0.261	4	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	111.4580	0.000	1	111.4580	0.000	1	111.6653	0.261	4	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]3)	112.3970	0.000	1	112.3970	0.000	1	111.6653	0.261	4	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HS)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HS)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(O){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[3x6]C[6,6]3)	111.5870	0.000	1	111.5870	0.000	1	111.6653	0.261	4	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,5,6,6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,5,6,6]O)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(O){2|H<1>,4|C<3>,4|C<4>}	H(C[3x6]C[6,6]3)	111.3350	0.000	1	111.3350	0.000	1	111.3350	0.000	1	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.2720	0.000	1	111.2720	0.000	1	111.7961	0.205	14	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O){1|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	111.7240	0.000	1	111.7240	0.000	1	111.7961	0.205	14	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	112.4653	0.052	3	112.4653	0.003	3	111.7961	0.205	14	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	112.3760	0.000	1	112.3760	0.000	1	111.7961	0.205	14	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[5,6,6]O)2(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[5,6,6]O)2(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(O){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.5690	0.184	4	111.5690	0.034	4	111.7961	0.205	14	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[5,6,6]O)2(H)	C[6,6](C[5,6,6]C[5,3x6]N[5]O)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[5,6,6]O)2(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,3x6]N[5]O)(C[3x6]C[6,6]2H)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.5255	0.185	4	111.5255	0.034	4	111.7961	0.205	14	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(O){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.7520	0.000	1	111.7520	0.000	1	111.8393	0.021	3	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,3x6]OO)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[5,3x6]OO)(C[3x6]C[6,6]2H)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]3)	111.8830	0.177	2	111.8830	0.031	2	111.8393	0.021	3	111.4073	1.646	48	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:	4:	C[5x6]-4:C[6,6]-3:N[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[5x6]C[5,6,6]C[4x6]C[6])(C[6,6]C[3x6]C)(N[6]C[6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5x6]N[6]H)(CHH)	H(C[3x6]C[5x6]C[6,6]N[6])	C[3x6](C[5x6]C[5,6,6]C[4x6]C[6])(C[6,6]C[3x6]C)(N[6]C[6]C)(H){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5x6]N[6]H)(CHH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[3x6]C[5x6]C[6,6]N[6])	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	111.0749	0.982	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH){1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.6333	0.042	3	111.6333	0.002	3	111.5590	0.030	7	111.0749	0.982	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH){1|O<1>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.7060	0.000	1	111.7060	0.000	1	111.5590	0.030	7	111.0749	0.982	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){1|O<1>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.2300	0.000	1	111.2300	0.000	1	111.5590	0.030	7	111.0749	0.982	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHH){1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.5385	0.172	2	111.5385	0.030	2	111.5590	0.030	7	111.0749	0.982	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCH){1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	111.0749	0.982	9	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[4,6,6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,6|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	109.9425	1.724	2	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2N)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[3x6]C[6,6]2N)(H){1|C<3>,1|O<1>,3|C<4>,3|N<3>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	109.0140	0.000	1	109.0140	0.000	1	109.0140	0.000	1	109.9425	1.724	2	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(O)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.6190	0.000	1	110.6190	0.000	1	110.4260	0.074	2	109.2196	7.161	8	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[3x6]C[6,6]H)(O)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[3x6]C[6,6]H)(O){1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.2330	0.000	1	110.2330	0.000	1	110.4260	0.074	2	109.2196	7.161	8	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[4x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[3x6]C[4x6]C[6,6]H)(O)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]HH)(H){1|Cl<1>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[3x6]C[4x6]C[6,6]H)(O){1|Cl<1>,4|H<1>,5|C<4>}	H(C[3x6]C[4x6]C[6,6]2)	111.2960	0.000	1	111.2960	0.000	1	111.2960	0.000	1	109.2196	7.161	8	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O){8|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	104.8190	0.000	1	104.8190	0.000	1	106.2723	3.649	3	109.2196	7.161	8	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(O){2|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	108.4360	0.000	1	108.4360	0.000	1	106.2723	3.649	3	109.2196	7.161	8	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(O)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(O){3|C<3>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.5620	0.000	1	105.5620	0.000	1	106.2723	3.649	3	109.2196	7.161	8	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]HO)(H)	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){2|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.3960	0.007	2	111.3960	0.000	2	111.3960	0.000	2	109.2196	7.161	8	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[4x6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,5|C<4>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	107.0435	0.392	2	107.0435	0.154	2	107.0435	0.154	2	107.0435	0.154	2	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6])(C[3x6]C[6,6]2H)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[3x6]C[6,6]3)	111.1390	0.110	3	111.1390	0.012	3	111.1390	0.012	3	111.1128	0.066	12	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[4x6]H)(H)	C[6,6](C[4x6]C[5,6,6]C[6x6])(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[5,6,6]C[6x6])(C[3x6]C[6,6]2H)(H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.7390	0.000	1	111.7390	0.000	1	111.7390	0.000	1	111.1128	0.066	12	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.3310	0.000	1	111.3310	0.000	1	110.9742	0.038	6	111.1128	0.066	12	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,5,6,6]CO)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,5,6,6]CO)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.8340	0.000	1	110.8340	0.000	1	110.9742	0.038	6	111.1128	0.066	12	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.9400	0.000	1	110.9400	0.000	1	110.9742	0.038	6	111.1128	0.066	12	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[3x6]N[5])(C[3x6]C[6,6]2H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]N[5])(C[3x6]C[6,6]2H)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.9133	0.123	3	110.9133	0.015	3	110.9742	0.038	6	111.1128	0.066	12	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:I-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]I)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(I)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]I)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(I){1|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	111.1765	0.015	2	111.1765	0.000	2	111.1765	0.000	2	111.1128	0.066	12	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(OH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(OH){1|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.7135	0.032	2	110.7135	0.001	2	110.7135	0.001	2	110.7135	0.001	2	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[5,6,6]C[6a])(H)	C[6,6](C[5,6,6]C[5,3x6]S[5])(C[3x6]C[5,6,6]2H)(C[6a]C[6a]2)	H(C[3x6]C[5,6,6]2C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,1|S<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]S[5])(C[3x6]C[5,6,6]2H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	H(C[3x6]C[5,6,6]2C[6,6])	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	110.5136	0.168	5	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H){1|C<3>,1|I<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]I){1|I<1>,5|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.5630	0.054	2	110.5630	0.003	2	110.3885	0.119	4	110.5136	0.168	5	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]2)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|O<2>,5|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	110.2140	0.482	2	110.2140	0.233	2	110.3885	0.119	4	110.5136	0.168	5	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(CH3){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.9410	0.098	2	110.9410	0.010	2	111.0498	0.067	5	111.0498	0.067	5	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]N[5,3x6]H)(C[3x6]C[6,6]2H)(CCHO)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]N[5,3x6]H)(C[3x6]C[6,6]2H)(CCHO){3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.4650	0.000	1	111.4650	0.000	1	111.0498	0.067	5	111.0498	0.067	5	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	3:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.9510	0.204	2	110.9510	0.041	2	111.0498	0.067	5	111.0498	0.067	5	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])(O){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.8500	0.000	1	110.8500	0.000	1	110.7390	0.014	3	111.7647	8.266	7	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.7530	0.000	1	110.7530	0.000	1	110.7390	0.014	3	111.7647	8.266	7	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:2:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O){3|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.6140	0.000	1	110.6140	0.000	1	110.7390	0.014	3	111.7647	8.266	7	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-2:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6])(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6])(H){1|O<2>,2|C<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	118.2510	0.000	1	118.2510	0.000	1	118.2510	0.000	1	111.7647	8.266	7	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[4x6])(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]O[6,6]O)(H){2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[4x6])(O){1|O<2>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.9600	0.000	1	110.9600	0.000	1	110.6283	0.233	3	111.7647	8.266	7	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(H){2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O){1|C<3>,1|H<1>,5|C<4>}	H(C[3x6]C[6,6]3)	110.0750	0.000	1	110.0750	0.000	1	110.6283	0.233	3	111.7647	8.266	7	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(O){3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.8500	0.000	1	110.8500	0.000	1	110.6283	0.233	3	111.7647	8.266	7	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]N[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6])(OC)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]N[6,6]O)(H){1|C<2>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6])(OC){1|O<2>,1|W<7>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	112.9240	0.000	1	112.5880	0.090	3	112.5880	0.090	3	112.5880	0.090	3	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]N[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6])(OC)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]N[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6])(OC){1|O<2>,1|W<7>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	112.4200	0.106	2	112.5880	0.090	3	112.5880	0.090	3	112.5880	0.090	3	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[3x6]H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[3,6,6]C[3x6]C[6,6])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[3x6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[3x6]C[3,6,6]C[3x6]C[6,6])	111.7820	0.000	1	111.7820	0.000	1	111.8973	0.035	3	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3,6,6]C[3x6]C[6,6])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[3x6]C[3,6,6]C[3x6]C[6,6])	111.9550	0.225	2	111.9550	0.051	2	111.8973	0.035	3	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3,6,6]C[5,6,6]C[6,6])	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3,6,6]C[5,6,6]C[6,6])	111.7940	0.020	2	111.7837	0.009	6	111.7837	0.009	6	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3,6,6]C[5,6,6]C[6,6])	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3,6,6]C[5,6,6]C[6,6])	111.7785	0.123	4	111.7837	0.009	6	111.7837	0.009	6	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	111.6880	0.118	4	111.6880	0.014	4	111.6859	0.055	10	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H)	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[3,6,6]C[6,6]2)	111.6485	0.060	2	111.8017	0.072	3	111.6859	0.055	10	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H)	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[3,6,6]C[6,6]2)	112.1080	0.000	1	111.8017	0.072	3	111.6859	0.055	10	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]H)(H)	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[3,6,6]C[6,6]2)	111.7525	0.131	2	111.5673	0.111	3	111.6859	0.055	10	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]H)(H)	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[3,6,6]C[6,6]2)	111.1970	0.000	1	111.5673	0.111	3	111.6859	0.055	10	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:Br-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Br)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Br)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Br)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Br){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Cl)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Cl){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.6750	0.000	1	111.6750	0.000	1	111.6750	0.000	1	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.1495	0.100	2	111.0353	0.044	3	111.0213	0.180	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.8070	0.000	1	111.0353	0.044	3	111.0213	0.180	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CF)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CF)(C[6,6]C[6,6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	111.2290	0.000	1	111.2290	0.000	1	111.0213	0.180	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	110.6390	0.422	3	110.6390	0.178	3	111.0213	0.180	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5])(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5])(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	112.6340	0.000	1	112.6340	0.000	1	111.0213	0.180	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	111.0850	0.000	1	111.0850	0.000	1	111.0213	0.180	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.0361	0.080	7	111.0386	0.009	11	111.0213	0.180	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.9680	0.006	2	111.0386	0.009	11	111.0213	0.180	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.2400	0.000	1	111.0386	0.009	11	111.0213	0.180	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.9960	0.000	1	111.0386	0.009	11	111.0213	0.180	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]O[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]O[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.7135	0.131	2	110.7135	0.017	2	111.0213	0.180	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.6670	0.000	1	110.6670	0.000	1	111.0213	0.180	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(N[6,6]C[3x6]C)(O)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.8250	0.000	1	110.8250	0.000	1	110.8250	0.000	1	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,3x6]C[3,4]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[4,3x6]C[6,6]2)	C[3x6](C[4,3x6]C[4,3x6]C[3,4]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[4,3x6]C[6,6]2)	111.1320	0.024	2	111.1320	0.001	2	111.1320	0.001	2	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	111.1180	0.000	1	111.1180	0.000	1	111.3037	0.035	4	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	111.3060	0.000	1	111.3060	0.000	1	111.3037	0.035	4	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	111.2320	0.000	1	111.2320	0.000	1	111.3037	0.035	4	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	111.5590	0.000	1	111.5590	0.000	1	111.3037	0.035	4	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[4,5,3x6]C[6,6]2)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[4,5,3x6]C[6,6]2)	111.8670	0.150	3	111.8670	0.022	3	112.1874	0.907	8	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[4,5,3x6]C[6,6]2)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[4,5,3x6]C[6,6]2)	113.6715	0.419	2	113.6715	0.176	2	112.1874	0.907	8	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[4,5,3x6]C[6,6]2)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[4,5,3x6]C[6,6]2)	111.5183	0.189	3	111.5183	0.036	3	112.1874	0.907	8	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[4,6,6]C[3x6]C[6,6])	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H){3|H<1>,4|C<4>}	H(C[3x6]C[4,6,6]C[3x6]C[6,6])	111.0800	0.000	1	111.0800	0.000	1	111.2095	0.034	2	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[4,6,6]C[3x6]C[6,6])	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[4,6,6]C[3x6]C[6,6])	111.3390	0.000	1	111.3390	0.000	1	111.2095	0.034	2	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]2)	111.1550	0.051	5	111.1550	0.003	5	111.1550	0.003	5	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[5,3x6]C[6,6]2)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[5,3x6]C[6,6]2)	111.3350	0.000	1	111.3350	0.000	1	111.0083	0.135	3	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[4x5,6,6]C[6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,3x6]C[6,6]2)	C[3x6](C[5,3x6]C[4x5,6,6]C[6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[5,3x6]C[6,6]2)	111.0790	0.000	1	111.0790	0.000	1	111.0083	0.135	3	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,3x6]C[6,6]2)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[5,3x6]C[6,6]2)	110.6110	0.000	1	110.6110	0.000	1	111.0083	0.135	3	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]2C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]N[5]O)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]2C[6,6])	111.1630	0.000	1	111.1630	0.000	1	111.3743	0.173	13	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]2C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[5,6,6]2C[6,6])	110.7320	0.000	1	110.7320	0.000	1	111.3743	0.173	13	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]2C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[5,6,6]2C[6,6])	111.9635	0.234	2	111.9635	0.055	2	111.3743	0.173	13	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]2C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]2C[6,6])	111.3940	0.000	1	111.3940	0.000	1	111.3743	0.173	13	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]2C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]2C[6,6])	111.2260	0.341	6	111.3312	0.122	8	111.3743	0.173	13	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]2C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]2C[6,6])	111.6470	0.092	2	111.3312	0.122	8	111.3743	0.173	13	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:Br-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[3x6]Br)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(Br)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[3x6]Br)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(Br){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.9160	0.000	1	111.9160	0.000	1	111.9160	0.000	1	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]C)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]C)(H){1|C<3>,2|C<2>,4|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.7140	0.000	1	111.7140	0.000	1	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.9715	0.009	2	110.9715	0.000	2	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<2>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,2|C<2>,4|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.0540	0.000	1	112.0540	0.000	1	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.9720	0.000	1	110.9720	0.000	1	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.0880	0.252	2	111.0517	0.051	4	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.0155	0.292	2	111.0517	0.051	4	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.8200	0.154	2	111.0901	0.096	9	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Br<1>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.7520	0.000	1	111.0901	0.096	9	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.9390	0.024	2	111.0901	0.096	9	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.6240	0.000	1	111.0901	0.096	9	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.3730	0.000	1	111.0901	0.096	9	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.2720	0.058	2	111.0901	0.096	9	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.4190	0.079	2	111.4190	0.006	2	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,1|W<7>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	114.2545	3.495	2	114.2545	12.217	2	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.4532	0.043	4	111.4532	0.002	4	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.6200	0.000	1	111.6200	0.000	1	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.3310	0.293	4	111.3310	0.086	4	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.6630	0.041	2	110.6630	0.002	2	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.2657	0.102	3	111.6248	0.523	4	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.7020	0.000	1	111.6248	0.523	4	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[5,6,6]C[6,6]2)	113.4340	0.000	1	113.4340	0.000	1	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.1945	0.142	2	111.1945	0.020	2	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]N[5,6,6]C[5]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.1030	0.000	1	111.1030	0.000	1	111.4526	0.982	41	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.8630	0.000	1	109.8630	0.000	1	109.8630	0.000	1	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]N[5,6,6]C[6a]O[5])(C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]N[5,6,6]C[6a]O[5])(C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[5,6,6]C[6,6]2)	109.8790	0.000	1	109.8790	0.000	1	111.3903	1.744	3	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]N[5,6,6]O[5]C)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]N[5,6,6]O[5]C)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	112.1460	0.250	2	112.1460	0.063	2	111.3903	1.744	3	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:Si[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(Si[6,6]C[3x6]CC)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[5,6,6]Si[6,6]H)(C[3x6]C[5x6]C[6])(H)	H(C[3x6]C[5,6,6]Si[6,6]C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(Si[6,6]C[3x6]CC)(C[6,6]C[3x6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[5,6,6]Si[6,6]H)(C[3x6]C[5x6]C[6])(H){2|C<3>,2|H<1>,6|C<4>}	H(C[3x6]C[5,6,6]Si[6,6]C[6,6])	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[3x6]C[5,3x6]O[6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]C)(H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[6,6]C[5,6,6]C[6a]H)(C[3x6]C[5,3x6]O[6]H)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.8760	0.000	1	110.8760	0.000	1	110.8760	0.000	1	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:Br-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(Br)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(Br){2|C<4>,2|O<2>,3|H<1>}	H(C[3x6]C[6,6]3)	111.0795	0.039	2	111.0795	0.002	2	111.1960	0.041	3	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:Br-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(Br)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Br)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(Br){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[3x6]C[6,6]3)	111.4290	0.000	1	111.4290	0.000	1	111.1960	0.041	3	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.1620	0.276	2	111.1365	0.034	4	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.1110	0.154	2	111.1365	0.034	4	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]3)	111.2087	0.085	3	111.2087	0.007	3	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	111.1520	0.000	1	111.1520	0.000	1	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.8040	0.000	1	110.8040	0.000	1	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.5730	0.000	1	110.5730	0.000	1	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|S<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	105.7105	7.554	2	109.5025	20.054	6	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.3985	0.150	4	109.5025	20.054	6	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.0080	0.000	1	111.0080	0.000	1	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	111.1065	0.155	2	110.5225	0.490	4	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.9385	0.285	2	110.5225	0.490	4	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.1960	0.000	1	110.1960	0.000	1	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.5581	0.075	8	110.6207	0.023	10	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.8710	0.091	2	110.6207	0.023	10	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.7670	0.000	1	110.7670	0.000	1	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|N<4>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.6080	0.000	1	110.7067	0.012	3	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.8240	0.000	1	110.7067	0.012	3	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|N<4>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.6880	0.000	1	110.7067	0.012	3	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	111.0050	0.000	1	110.7577	0.054	3	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<4>,5|H<1>}	H(C[3x6]C[6,6]3)	110.6340	0.124	2	110.7577	0.054	3	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]3)	111.2200	0.264	2	111.2200	0.070	2	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	111.0470	0.000	1	111.0470	0.000	1	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.6590	0.000	1	110.6590	0.000	1	110.6168	2.704	43	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(H){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.1504	0.118	21	111.1504	0.014	21	111.0991	0.042	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.5170	0.000	1	110.5605	0.004	2	111.0991	0.042	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.6040	0.000	1	110.5605	0.004	2	111.0991	0.042	23	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	P[4x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](P[4x6]As[4x6]C[3x6]W)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[6,6]2P[4x6])	C[3x6](P[4x6]As[4x6]C[3x6]W)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]H)(H){1|As<3>,1|W<6>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2P[4x6])	109.2565	0.115	2	109.2565	0.013	2	109.2565	0.013	2	111.1793	1.070	201	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:2:	4:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[4x6]C[5,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[4x6]H)(OC)	H(C[3x6]C[5,6,6]C[3x6]C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[4x6]C[5,6]H)(C[6,6]C[6,6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[4x6]H)(OC){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[3x6]C[6,6])	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	110.8745	0.941	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:2:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(OC)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.4960	0.000	1	111.4960	0.000	1	111.0530	0.392	2	110.8745	0.941	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:2:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(OSi)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(OSi){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.6100	0.000	1	110.6100	0.000	1	111.0530	0.392	2	110.8745	0.941	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NN)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NN){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.2530	0.000	1	111.2530	0.000	1	110.8004	0.245	5	110.8745	0.941	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NO)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NO){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.2640	0.000	1	111.2640	0.000	1	110.8004	0.245	5	110.8745	0.941	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-2:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(NC[6a])	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]N)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(NC[6a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.4950	0.374	3	110.4950	0.140	3	110.8004	0.245	5	110.8745	0.941	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(OSi)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H){2|C<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(OSi){1|C<3>,2|C<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]3)	112.6390	0.000	1	112.6390	0.000	1	110.6680	7.770	2	110.8745	0.941	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(OC)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]O)(H){1|C<2>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(OC){1|O<2>,1|W<7>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	108.6970	0.000	1	108.6970	0.000	1	110.6680	7.770	2	110.8745	0.941	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:N-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]N)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(NC[5])	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]N)(H){1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(NC[5]){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	111.1160	0.000	1	111.1160	0.000	1	111.1160	0.000	1	110.8745	0.941	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(COO)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(COO){3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	110.3145	1.440	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6]-4:	C[3x6](C[3x6]C[5,6]N[3x6]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(NCC)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[5,6]N[3x6]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(H){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(NCC){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]2)	110.3250	0.000	1	110.3250	0.000	1	110.3250	0.000	1	110.3145	1.440	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	H(C[3x6]C[5,6,6]C[3x6]C[6,6])	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C[6a])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[5,6,6]C[3x6]C[6,6])	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	110.3145	1.440	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCO)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.8270	0.000	1	110.8270	0.000	1	110.8270	0.000	1	110.3145	1.440	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]H)(C[6]C[6]O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	107.7970	0.000	1	107.7970	0.000	1	107.7970	0.000	1	110.3145	1.440	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(COO)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(COO){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.2780	0.000	1	111.2780	0.000	1	110.7656	0.122	5	110.3145	1.440	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.7050	0.000	1	110.6185	0.015	2	110.7656	0.122	5	110.3145	1.440	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.5320	0.000	1	110.6185	0.015	2	110.7656	0.122	5	110.3145	1.440	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCH){2|C<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.3870	0.000	1	110.3870	0.000	1	110.7656	0.122	5	110.3145	1.440	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]3)	110.9260	0.000	1	110.9260	0.000	1	110.7656	0.122	5	110.3145	1.440	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6]2H)2(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]O)(C[6]O[6]O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]2H)2(C[6,6]C[6]2)(H){2|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]O)(C[6]O[6]O){1|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	110.3145	1.440	11	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a])(CH3)	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a])(CH3){2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[5,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(CH3)	H(C[3x6]C[5,6,6]C[3x6]C[6,6])	C[3x6](C[5,6,6]C[6,6]C[5]O[5])(C[3x6]C[3x6]C[5,6]H)(C[6,6]C[6,6]C)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[3x6]C[5,6,6]C[3x6]C[6,6])	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.9910	0.182	2	111.0572	0.023	4	110.8662	0.252	8	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.1235	0.138	2	111.0572	0.023	4	110.8662	0.252	8	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CCHH)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(H){2|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.1245	0.169	2	110.1245	0.029	2	110.8662	0.252	8	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	110.9400	0.000	1	110.9400	0.000	1	110.8662	0.252	8	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]O[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.5120	0.000	1	111.5120	0.000	1	110.8662	0.252	8	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.6000	0.212	3	110.5403	0.044	4	111.1372	1.599	22	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.3610	0.000	1	110.5403	0.044	4	111.1372	1.599	22	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.5750	0.157	2	110.5102	0.058	5	111.1372	1.599	22	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.4670	0.312	3	110.5102	0.058	5	111.1372	1.599	22	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.3390	0.000	1	111.3390	0.000	1	111.1372	1.599	22	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCHH){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.4320	0.000	1	110.4320	0.000	1	111.1372	1.599	22	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|C<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CH3){2|C<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	113.0200	0.000	1	113.0200	0.000	1	111.1372	1.599	22	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	111.1250	0.000	1	113.6245	12.495	2	111.1372	1.599	22	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]3)	116.1240	0.000	1	113.6245	12.495	2	111.1372	1.599	22	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.9710	0.000	1	110.9710	0.000	1	111.1372	1.599	22	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.3630	0.018	2	111.2342	0.025	5	111.1372	1.599	22	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	111.0640	0.013	2	111.2342	0.025	5	111.1372	1.599	22	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.3170	0.000	1	111.2342	0.025	5	111.1372	1.599	22	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(CH3)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HN)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(CH3){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.5625	0.179	2	110.5625	0.032	2	111.1372	1.599	22	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:N[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH){2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	110.4370	0.177	2	110.4370	0.031	2	110.4370	0.031	2	110.9941	1.091	35	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,3x6]O[3]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]O[5]C)(O)	H(C[3x6]C[3,6,6]C[6,6]2)	C[3x6](C[3,6,6]C[3,3x6]O[3]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]O[5]C)(O){2|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[3,6,6]C[6,6]2)	111.6930	0.390	2	111.6930	0.152	2	111.6930	0.152	2	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[3x6]C[5,6,6]2C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[5,6,6]2C[6,6])	110.3140	0.000	1	110.3140	0.000	1	110.3140	0.000	1	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O)	H(C[3x6]C[5,6,6]C[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O){1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]2)	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]H)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H){1|O<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.6630	0.000	1	109.6630	0.000	1	110.5757	0.624	4	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H){2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	111.2105	0.327	2	110.8800	0.381	3	110.5757	0.624	4	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)2(H)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(H){1|O<2>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	110.2190	0.000	1	110.8800	0.381	3	110.5757	0.624	4	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(C[6,6]C[3x6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(O){2|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6]3)	110.4500	0.000	1	110.4500	0.000	1	110.5909	0.154	9	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H){4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(O){3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	109.9930	0.000	1	109.9930	0.000	1	110.5909	0.154	9	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(O){3|C<4>,7|H<1>}	H(C[3x6]C[6,6]3)	110.3340	0.000	1	110.3340	0.000	1	110.5909	0.154	9	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]N[3x6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[3x6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[3x6]C[6,6]3)	110.3400	0.305	2	110.3400	0.093	2	110.5909	0.154	9	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]O)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)2(O){2|N<3>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6]3)	110.9652	0.046	4	110.9652	0.002	4	110.5909	0.154	9	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]O)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]3)	110.6085	0.156	2	110.6085	0.024	2	110.5283	0.785	18	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.7170	0.000	1	110.7170	0.000	1	110.5283	0.785	18	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	108.7515	0.255	2	108.7515	0.065	2	110.5283	0.785	18	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.8670	0.000	1	110.8670	0.000	1	110.5283	0.785	18	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(O){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.0940	0.822	2	111.0940	0.675	2	110.5283	0.785	18	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,2|C<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.2705	0.176	4	110.2705	0.031	4	110.5283	0.785	18	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|H<1>,3|C<3>,3|C<4>}	H(C[3x6]C[6,6]3)	110.4740	0.000	1	110.4740	0.000	1	110.5283	0.785	18	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.4530	0.000	1	110.4530	0.000	1	110.5283	0.785	18	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.7700	0.000	1	110.7700	0.000	1	110.5283	0.785	18	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|N<4>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.8830	0.000	1	110.8830	0.000	1	110.5283	0.785	18	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[3x6]C[6,6]3)	111.6780	1.505	2	111.6780	2.264	2	110.5283	0.785	18	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]N[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H)	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]N[6]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.9160	0.000	1	110.9160	0.000	1	110.9160	0.000	1	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(O){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.2850	0.000	1	111.2850	0.000	1	111.0382	0.055	6	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(O){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.0020	0.000	1	111.0020	0.000	1	111.0382	0.055	6	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,5,3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(O){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.0460	0.000	1	111.0460	0.000	1	111.0382	0.055	6	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.3140	0.000	1	111.3140	0.000	1	111.0382	0.055	6	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.7910	0.115	2	110.7910	0.013	2	111.0382	0.055	6	110.6905	0.501	42	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:N-2:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H)	C[6,6](C[3x6]C[6,6]2H)2(NN)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(NN){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.3620	0.256	2	110.3620	0.066	2	110.3620	0.066	2	110.8717	0.191	6	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:N-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H){1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.2005	0.210	2	111.1265	0.037	4	111.1265	0.037	4	110.8717	0.191	6	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:N-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]N)(H){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	111.0525	0.209	2	111.1265	0.037	4	111.1265	0.037	4	110.8717	0.191	6	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]2H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){5|C<4>,9|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	104.9310	0.000	1	104.9310	0.000	1	107.7750	2.543	5	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(C[6]O[6]H)	H(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2)(H){1|O<1>,2|O<2>,5|C<4>,8|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(C[6]O[6]H){1|H<1>,2|C<3>,5|C<4>}	H(C[3x6]C[3x6]C[6,6]2)	108.4860	0.142	4	108.4860	0.020	4	107.7750	2.543	5	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)2(CCC)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(CCC){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.0597	0.192	11	110.0597	0.037	11	110.1051	0.035	16	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.2050	0.144	5	110.2050	0.021	5	110.1051	0.035	16	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:N-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H)	C[6,6](C[3x6]C[6,6]2H)2(NN[6]Ga)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]N)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(NN[6]Ga){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]3)	110.4710	0.427	2	110.4710	0.182	2	110.4710	0.182	2	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.7870	0.000	1	110.7870	0.000	1	110.5157	0.290	16	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH){3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.6000	0.000	1	110.4435	0.049	2	110.5157	0.290	16	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH){3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.2870	0.000	1	110.4435	0.049	2	110.5157	0.290	16	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	111.0320	0.000	1	110.2250	0.539	4	110.5157	0.290	16	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	109.9560	0.611	3	110.2250	0.539	4	110.5157	0.290	16	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.4615	0.209	2	110.3840	0.040	3	110.5157	0.290	16	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.2290	0.000	1	110.3840	0.040	3	110.5157	0.290	16	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HO)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[4x6]HH)2(C[6,6]C[6,6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HO)(CHH){3|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.5220	0.080	3	110.5220	0.006	3	110.5157	0.290	16	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCH){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]3)	110.5025	0.238	2	110.5025	0.057	2	110.5157	0.290	16	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	111.9540	0.000	1	111.9540	0.000	1	110.5157	0.290	16	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	108.0540	0.011	2	107.8234	0.140	5	107.8234	0.140	5	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){2|O<2>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]3)	107.6610	0.000	1	107.8234	0.140	5	107.8234	0.140	5	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]3)	107.6740	0.618	2	107.8234	0.140	5	107.8234	0.140	5	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH){1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.0730	0.317	2	110.0730	0.100	2	110.3566	0.115	5	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,5x6]HO)(C[3x6]C[6,6]2H)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,3x6]HO)(C[6,6]C[6,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,5x6]HO)(C[3x6]C[6,6]2H)(CHH){1|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]3)	110.6700	0.000	2	110.6700	0.000	2	110.3566	0.115	5	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH)	H(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[5,3x6]HO)2(C[6,6]C[6,6]C)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH){2|H<1>,2|O<2>,3|C<4>}	H(C[3x6]C[6,6]3)	110.2970	0.000	1	110.2970	0.000	1	110.3566	0.115	5	109.8092	1.425	49	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	6:3:3:1:	4:3:1:	4:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5x3,5x5,22x6]C[6,6,6a]C[6,6])	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6]C[6,6]H)(H){1|C<4>,3|C<3>,5|B<6>,5|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	H(C[3x6]C[5x3,5x5,22x6]C[6,6,6a]C[6,6])	112.0740	0.000	1	112.0740	0.000	1	112.1415	0.006	4	112.1229	0.011	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	6:3:3:1:	4:3:1:	4:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5x3,5x5,22x6]C[6,6,6a]C[6,6])	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6,6a]H)(C[6,6]C[3x6]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	H(C[3x6]C[5x3,5x5,22x6]C[6,6,6a]C[6,6])	112.1640	0.075	3	112.1640	0.006	3	112.1415	0.006	4	112.1229	0.011	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	6:3:3:1:	4:3:1:	4:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5x3,5x5,22x6]C[6,6]2)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,5|B<6>,7|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,1|C<6>,1|H<1>,1|O<1>,4|B<6>}	H(C[3x6]C[5x3,5x5,22x6]C[6,6]2)	111.9630	0.115	2	111.9630	0.013	2	112.1105	0.017	6	112.1229	0.011	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	6:3:3:1:	4:3:1:	4:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5x3,5x5,22x6]C[6,6]2)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(H){1|C<4>,5|B<6>,6|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	H(C[3x6]C[5x3,5x5,22x6]C[6,6]2)	112.2180	0.008	2	112.1843	0.002	4	112.1105	0.017	6	112.1229	0.011	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	6:3:3:1:	4:3:1:	4:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5x3,5x5,22x6]C[6,6]2)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)2(H){1|C<4>,5|B<6>,6|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Si<4>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	H(C[3x6]C[5x3,5x5,22x6]C[6,6]2)	112.1505	0.005	2	112.1843	0.002	4	112.1105	0.017	6	112.1229	0.011	10	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	6:3:3:1:	4:4:1:	4:	C[5x3,5x5,22x6]-6:C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6]-4:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]HH)(O)	H(C[3x6]C[5x3,5x5,22x6]C[6,6]2)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(H){1|C<4>,5|B<6>,7|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	H(C[3x6]C[5x3,5x5,22x6]C[6,6]2)	111.9745	0.077	2	111.9745	0.006	2	111.9745	0.006	2	111.9745	0.006	2	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6]	H	6:4:3:1:	4:3:1:	4:	C[5x3,5x5,22x6]-6:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	H(C[3x6]C[5x3,5x5,22x6]C[6,6]2)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,5|B<6>,5|H<1>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	H(C[3x6]C[5x3,5x5,22x6]C[6,6]2)	111.1875	0.551	2	111.1875	0.303	2	111.1875	0.303	2	111.1875	0.303	2	111.4711	2.983	995	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	3:4:3:1:	3:4:1:	4:	N[4x6]-3:C[6,6]-4:C[6]-3:H-1:	C[5a,6]-3:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(O)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(O){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[3x6]C[6,6]N[4x6]C[6])	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6,6a]-3:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O){1|C<4>,3|H<1>,5|C<3>}	H(C[3x6]C[3x6]2C[6])	105.7170	0.612	2	105.7170	0.375	2	106.4507	0.855	4	106.9548	1.128	6	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6,6a]-3:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[3x6]2C[6])	107.1845	0.187	2	107.1845	0.035	2	106.4507	0.855	4	106.9548	1.128	6	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[6]C[4,5,6,6]H)(C[3x6]C[3x6]2H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[4,5,6,6]H)(C[3x6]C[3x6]2H)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[3x6]2C[6])	107.9630	0.167	2	107.9630	0.028	2	107.9630	0.028	2	106.9548	1.128	6	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[3x6]-4:O[6]-2:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(O)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(O){2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.6840	2.802	2	106.6933	3.925	4	106.6933	3.925	4	106.6933	3.925	4	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[3x6]-4:O[6]-2:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(O)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(O){2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	105.7025	0.032	2	106.6933	3.925	4	106.6933	3.925	4	106.6933	3.925	4	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[3x6]C[3x6]2C[6])	108.2730	0.201	2	108.2730	0.040	2	108.1153	0.766	6	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]2C[6])	109.0040	0.000	1	108.8435	0.052	2	108.1153	0.766	6	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]2C[6])	108.6830	0.000	1	108.8435	0.052	2	108.1153	0.766	6	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[4,6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[4,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[3x6]2C[6])	107.9570	0.000	1	107.9570	0.000	1	108.1153	0.766	6	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]2C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	106.5020	0.000	1	106.5020	0.000	1	108.1153	0.766	6	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(O){1|H<1>,1|I<1>,2|C<3>,3|C<4>}	H(C[3x6]C[3x6]2C[6])	106.0630	0.000	1	106.0630	0.000	1	107.2652	0.397	13	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2C)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2C)(C[6]C[6]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[3x6]2C[6])	106.9400	0.598	2	106.9400	0.358	2	107.2652	0.397	13	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){1|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	107.4355	0.204	2	107.6775	0.106	4	107.2652	0.397	13	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2H)(C[6]C[6]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){1|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	107.9195	0.206	2	107.6775	0.106	4	107.2652	0.397	13	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]2C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]2C[5])(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[3x6]2C[6])	107.9650	0.590	2	107.9650	0.348	2	107.2652	0.397	13	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[3x6]2C[6])	107.1140	0.000	1	107.1140	0.000	1	107.2652	0.397	13	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	106.8590	0.000	1	106.8590	0.000	1	107.2652	0.397	13	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[3x6]2C[6])	107.0700	0.000	1	107.0700	0.000	1	107.2652	0.397	13	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[3x6]2C[6])	106.8210	0.000	1	106.8210	0.000	1	107.2652	0.397	13	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.1340	0.000	1	107.1340	0.000	1	107.3841	0.194	11	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.7160	0.000	1	107.4091	0.208	10	107.3841	0.194	11	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.5190	0.000	1	107.4091	0.208	10	107.3841	0.194	11	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.3570	0.499	8	107.4091	0.208	10	107.3841	0.194	11	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[4x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6a]-3:O-1:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]O)(C[6]C[6,6a]O)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]O)(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	H(C[3x6]C[3x6]C[4x6]C[6])	107.4930	0.000	1	107.4930	0.000	1	107.4930	0.000	1	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]Cl)(O)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]Cl)(O){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.1440	0.000	1	109.1440	0.000	1	109.1440	0.000	1	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]H)(H)	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	108.9519	1.086	9	108.7861	0.787	17	108.7174	0.825	18	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]H)(H)	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	108.5995	0.614	8	108.7861	0.787	17	108.7174	0.825	18	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]O)(H)	H(C[3x6]C[5,3x6]C[6,6]C[6])	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[3x6]C[5,3x6]C[6,6]C[6])	107.5510	0.000	1	107.5510	0.000	1	108.7174	0.825	18	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,3x6]-4:Ge[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,3x6]Ge[5,3x6]C[5,6]C)(Ge[3x6]C[6,6]2C[6a])(C[6]C[6]H)(H)	C[6](C[3x6]C[5,3x6]Ge[3x6]H)(C[6]C[6]H)(H)	H(C[3x6]C[5,3x6]Ge[3x6]C[6])	C[3x6](C[5,3x6]Ge[5,3x6]C[5,6]C)(Ge[3x6]C[6,6]2C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[3x6]C[5,3x6]Ge[3x6]H)(C[6]C[6]H)(H){1|Ge<4>,2|C<4>,4|C<3>}	H(C[3x6]C[5,3x6]Ge[3x6]C[6])	105.6820	0.000	1	105.6820	0.000	1	105.6820	0.000	1	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6a]-3:O-1:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,5,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]C[5,5,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	107.0340	0.000	1	107.0340	0.000	1	107.0325	0.001	4	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6a]-3:O-1:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6,6a]O)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	107.0175	0.046	2	107.0175	0.002	2	107.0325	0.001	4	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6,6a]-3:O-1:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]N[6]H)(C[6]C[6,6a]O)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]N[6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	107.0610	0.000	1	107.0610	0.000	1	107.0325	0.001	4	107.8496	1.010	55	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-2:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]O)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(OH)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	107.0530	0.000	1	107.0530	0.000	1	107.0530	0.000	1	107.0530	0.000	1	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6a]-3:C[6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(C[6]C[6a]C[6])(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[3x6]C[4x6]C[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(C[6]C[6a]C[6])(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,6|H<1>}	H(C[3x6]C[4x6]C[6,6]C[6])	109.2490	0.000	1	109.2490	0.000	1	109.2490	0.000	1	109.2490	0.000	1	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(CH3)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[3x6]C[3x6]2C[6])	107.8290	0.000	1	107.8290	0.000	1	108.3727	0.143	4	108.7370	0.771	5	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(CH3)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]2C[6])	108.5540	0.132	3	108.5540	0.017	3	108.3727	0.143	4	108.7370	0.771	5	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]CH)(C[6]C[6]C)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6]C[6]H)(CH3)	H(C[3x6]C[5,4x6]C[6,6]C[6])	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]CH)(C[6]C[6]C)(H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[5,4x6]C[6,6]C[6])	110.1940	0.000	1	110.1940	0.000	1	110.1940	0.000	1	108.7370	0.771	5	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[3x6]O)(H)	C[6](C[3x6]C[3x6]2H)2(O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[3x6]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]2H)2(O){3|C<3>,4|C<4>,4|H<1>}	H(C[3x6]C[3x6]2C[6])	107.3556	0.183	8	107.3556	0.034	8	107.3556	0.034	8	106.3190	13.711	12	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6]2H)(C[6]C[5,6,6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[3x6]C[3x6]2H)(O)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[5,5,6]C[3x6]H)(C[3x6]C[6,6]2H)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[3x6]C[3x6]2H)(O){1|C<3>,4|H<1>,6|C<4>}	H(C[3x6]C[3x6]2C[6])	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	106.3190	13.711	12	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[4x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]HH)(H)	H(C[3x6]C[3x6]C[4x6]C[6])	C[3x6](C[4x6]C[4x6]C[6]2)(C[3x6]C[6,6]2H)(C[6]C[6]H)(H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[4x6]C[6])	94.5859	0.000	1	94.5859	0.000	1	94.5859	0.000	1	106.3190	13.711	12	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6a]C[6,6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[3x6]C[3x6]C[6,6]C[6])	C[3x6](C[6,6]C[6,6a]C[6,6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]C[6])	107.4965	0.610	2	107.4965	0.372	2	107.4965	0.372	2	106.3190	13.711	12	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[3x6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[5]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[5]C[6])(H)	C[6](C[3x6]C[3x6]2H)(C[5]C[5]2C)(C[6]C[6]H)	H(C[3x6]C[3x6]2C[6])	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[5]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,6|C<4>}	C[6](C[3x6]C[3x6]2H)(C[5]C[5]2C)(C[6]C[6]H){1|O<1>,2|C<3>,4|H<1>,6|C<4>}	H(C[3x6]C[3x6]2C[6])	108.2150	0.000	1	108.2150	0.000	1	108.2150	0.000	1	108.2150	0.000	1	107.5773	3.113	86	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[3x6]	H	4:3:3:1:	4:3:3:	4:	Si[4,3x6]-4:C[3x6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:	C[4x6](Si[4,3x6]Si[4,6,6]Si[4,4]Si[4,6])(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(H)	C[3x6](C[4x6]Si[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[6]N[6]N)	H(C[4x6]Si[4,3x6]C[3x6]C[6,6])	C[4x6](Si[4,3x6]Si[4,6,6]Si[4,4]Si[4,6])(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(H){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	C[3x6](C[4x6]Si[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[6]N[6]N){1|Si<5>,2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[4x6]Si[4,3x6]C[3x6]C[6,6])	111.7650	0.000	1	111.7650	0.000	1	111.7650	0.000	1	111.7650	0.000	1	111.1010	1.764	6	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[3x6]	H	4:3:4:1:	4:4:3:	4:	C[4x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[4x6]-4:C[6]-3:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]Br)(C[3x6]C[3x6]C[6])(C[6,6]C[6]2H)(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]C[6]H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]Br)(C[3x6]C[3x6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]C[6]H){1|Br<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	109.5345	0.567	2	111.1010	1.764	6	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[3x6]	H	4:3:4:1:	4:4:3:	4:	C[6x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6]-3:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]H)	H(C[4x6]C[3x6]C[6,6]C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]H){1|O<1>,2|C<3>,4|C<4>,7|H<1>}	H(C[4x6]C[3x6]C[6,6]C[6x6])	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	109.5345	0.567	2	111.1010	1.764	6	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[3x6]	H	4:4:3:1:	4:3:4:	4:	C[4x6]-4:C[3x6]-4:C[3x6]-3:H-1:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]O[6,6]H)(C[3x6]O[6,6]C[6]H)(C[3x6]C[3x6]C[6])(H)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	H(C[4x6]C[3x6]2C[4x6])	C[4x6](C[4x6]C[3x6]O[6,6]H)(C[3x6]O[6,6]C[6]H)(C[3x6]C[3x6]C[6])(H){3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|O<2>,5|H<1>}	H(C[4x6]C[3x6]2C[4x6])	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	111.1010	1.764	6	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[3x6]	H	4:4:3:1:	4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[4x6]-4:C[4x6]-4:O-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(O)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(H){2|C<4>,7|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]H)2(O){1|O<2>,3|C<4>,5|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	112.0050	0.000	1	112.0050	0.000	1	112.2730	0.144	2	112.2730	0.144	2	111.1010	1.764	6	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[3x6]	H	4:4:3:1:	4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[3x6]-3:H-1:	C[4x6]-4:C[4x6]-4:O-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HO)(C[3x6]C[4x6]O)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(O)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HO)(C[3x6]C[4x6]O)(H){2|C<4>,7|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]H)2(O){1|O<2>,3|C<4>,5|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	112.5410	0.000	1	112.5410	0.000	1	112.2730	0.144	2	112.2730	0.144	2	111.1010	1.764	6	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	Si[4,3x6]-4:C[3x6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:	C[4x6](Si[4,3x6]Si[4,6,6]Si[4,4]Si[4,6])(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]Si[4,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	H(C[4x6]Si[4,3x6]C[3x6]C[6,6])	C[4x6](Si[4,3x6]Si[4,6,6]Si[4,4]Si[4,6])(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]H)(H){1|Si<4>,1|Si<5>,1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	C[6,6](C[4x6]Si[4,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|Si<5>,2|Si<4>,1|H<1>,2|C<3>}	H(C[4x6]Si[4,3x6]C[3x6]C[6,6])	111.7330	0.000	1	111.7330	0.000	1	111.7330	0.000	1	111.7330	0.000	1	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	3:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[4x6]-4:F-1:	C[4x6]-4:	C[4x6](C[3x6]C[4,3x6]HH)2(C[6,6]C[6,6]F)(H)	C[6,6](C[6,6]C[4,3x6]F)(C[4x6]C[3x6]2H)(F)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[4,3x6]HH)2(C[6,6]C[6,6]F)(H){2|C<4>,3|F<1>}	C[6,6](C[6,6]C[4,3x6]F)(C[4x6]C[3x6]2H)(F){1|F<1>,2|C<4>,4|H<1>}	H(C[4x6]C[3x6]2C[6,6])	110.0230	0.000	1	110.0230	0.000	1	110.0230	0.000	1	110.3375	0.198	2	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	3:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[4x6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[3x6]N[5])(C[4x6]C[3x6]2H)(H)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]H)(H){1|C<4>,2|N<3>,8|H<1>}	C[6,6](C[6,6]C[3x6]N[5])(C[4x6]C[3x6]2H)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[4x6]C[3x6]2C[6,6])	110.6520	0.000	1	110.6520	0.000	1	110.6520	0.000	1	110.3375	0.198	2	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	3:4:4:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[3x6]-4:C[4x6]-4:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H)	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[3x6]C[4x6])(C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H){8|C<4>,8|H<1>}	H(C[4x6]C[4x6]2C[6,6])	111.9573	0.445	3	111.9573	0.198	3	111.9573	0.198	3	111.9573	0.198	3	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	4:2:1:	4:	C[5,3x6]-4:C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:O[6,6]-2:O-1:	C[4x6]-4:	C[4x6](C[5,3x6]C[5,6a]C[5,6]C[6,6])(C[4x6]C[3x6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[4x6]C[5,3x6]C[4x6]H)(O[6,6]C[3x6])(O)	H(C[4x6]C[5,3x6]C[4x6]C[6,6])	C[4x6](C[5,3x6]C[5,6a]C[5,6]C[6,6])(C[4x6]C[3x6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[4x6]C[5,3x6]C[4x6]H)(O[6,6]C[3x6])(O){2|C<3>,2|H<1>,3|C<4>}	H(C[4x6]C[5,3x6]C[4x6]C[6,6])	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	4:2:3:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:N[6,6]-2:C[6a]-3:	C[4x6]-4:	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H)	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H){1|C<4>,4|C<3>,6|H<1>}	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[4x6]C[3x6]2C[6,6])	111.5140	0.000	1	111.5390	0.012	3	111.5390	0.012	3	111.5390	0.012	3	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	4:2:3:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:N[6,6]-2:C[6a]-3:	C[4x6]-4:	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H)	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H){1|C<4>,4|C<3>,6|H<1>}	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	H(C[4x6]C[3x6]2C[6,6])	111.6590	0.000	1	111.5390	0.012	3	111.5390	0.012	3	111.5390	0.012	3	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	4:2:3:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:N[6,6]-2:C[6a]-3:	C[4x6]-4:	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H)	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6a]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	H(C[4x6]C[3x6]2C[6,6])	111.4440	0.000	1	111.5390	0.012	3	111.5390	0.012	3	111.5390	0.012	3	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]H)(H){2|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	113.1230	0.000	1	113.1230	0.000	1	111.8175	0.874	4	111.8175	0.874	4	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]H)(H){2|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	111.5360	0.000	1	111.5360	0.000	1	111.8175	0.874	4	111.8175	0.874	4	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H){3|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.9100	0.000	1	111.3055	0.313	2	111.8175	0.874	4	111.8175	0.874	4	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[6,6]H)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]H)(H){3|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	111.7010	0.000	1	111.3055	0.313	2	111.8175	0.874	4	111.8175	0.874	4	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[4,3x6]-4:C[5x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[4x6]C[4,3x6]C[5x6]C[6,6])	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|N<3>,4|H<1>}	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	H(C[4x6]C[4,3x6]C[5x6]C[6,6])	109.0125	0.032	2	109.0125	0.001	2	109.0125	0.001	2	109.0125	0.001	2	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]CH)(O)	H(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]C[6,6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[4x6]C[3x6]2C[6,6])	110.4350	0.000	1	110.4350	0.000	1	110.4350	0.000	1	110.0040	1.549	3	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[4x6]-4:	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(O)	H(C[4x6]C[3x6]C[4x6]C[6,6])	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	H(C[4x6]C[3x6]C[4x6]C[6,6])	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	110.0040	1.549	3	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[4x6]-4:O-1:	C[4x6]-4:	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]O)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(O)	H(C[4x6]C[6,6]2C[6x6])	C[4x6](C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(C[6,6]C[4x6]O)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(O){3|C<3>,4|C<4>,5|H<1>}	H(C[4x6]C[6,6]2C[6x6])	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	110.0040	1.549	3	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[4x6]-4:C[6,6]-3:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(C[6,6]C[3x6]2)	H(C[4x6]C[4x6]2C[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]C[6,6])(H){6|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(C[6,6]C[3x6]2){8|C<4>,8|H<1>}	H(C[4x6]C[4x6]2C[6,6])	111.0800	0.000	1	111.0800	0.000	1	111.0800	0.000	1	111.0800	0.000	1	110.9899	1.324	20	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[4x6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[4,4x6]-4:C[5x6]-4:C[6]-3:H-1:	C[4x6]-4:C[6]-3:H-1:	C[4x6]-4:	C[4x6](C[4,4x6]C[4,3x6]C[4,6,6]N)(C[5x6]C[3x6]C[4x6]N)(C[6]C[6]H)(H)	C[6](C[4x6]C[4,4x6]C[5x6]H)(C[6]N[6]H)(H)	H(C[4x6]C[4,4x6]C[5x6]C[6])	C[4x6](C[4,4x6]C[4,3x6]C[4,6,6]N)(C[5x6]C[3x6]C[4x6]N)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|N<3>,5|H<1>}	C[6](C[4x6]C[4,4x6]C[5x6]H)(C[6]N[6]H)(H){2|N<3>,5|C<4>}	H(C[4x6]C[4,4x6]C[5x6]C[6])	109.8355	0.173	2	109.8355	0.030	2	109.8355	0.030	2	109.8355	0.030	2	109.8355	0.030	2	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[5x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5x6]-4:C[5x6]-4:C[6,6]-3:H-1:	C[5x6]-4:C[6,6]-3:C[6a]-3:	C[5x6]-4:	C[5x6](C[5,5x6]P[5,5,3x6]C[5,4x6]C[6a])(C[5x6]C[5,5x6]C[6,6]H)(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[5x6]C[5,5x6]C[5x6]H)(C[6,6]C[5,4x6]H)(C[6a]C[6a]2)	H(C[5x6]C[5,5x6]C[5x6]C[6,6])	C[5x6](C[5,5x6]P[5,5,3x6]C[5,4x6]C[6a])(C[5x6]C[5,5x6]C[6,6]H)(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|P<4>,8|C<3>}	C[6,6](C[5x6]C[5,5x6]C[5x6]H)(C[6,6]C[5,4x6]H)(C[6a]C[6a]2){1|P<4>,2|C<4>,3|H<1>,5|C<3>}	H(C[5x6]C[5,5x6]C[5x6]C[6,6])	109.2469	7.416	4	109.2469	55.003	4	109.2469	55.003	4	109.2469	55.003	4	109.2469	55.003	4	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	3:3:1:1:	4:4:3:	4:	C[3x6]-3:C[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2)2(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2)2(H)2{2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6,6]C[3x6]2H)	109.0298	0.935	4	109.0298	0.875	4	109.0298	0.875	4	109.0298	0.875	4	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	3:3:4:1:	4:4:3:	4:	C[3x6]-3:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	3:4:1:1:	4:4:3:	4:	C[3x6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6])(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6])(C[3x6]C[6,6]2C)(H)2{4|C<4>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[4x6]C[6,6]3)(C[6]C[5,6]H){1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[3x6]2H)	109.9775	0.100	6	109.9775	0.010	6	109.9775	0.010	6	109.9775	0.010	6	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:3:	4:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	108.2065	0.000	2	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	3:4:3:1:	4:4:3:	4:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	108.2065	0.000	2	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	3:4:4:1:	3:4:4:	4:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[4x6]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[3x6](C[4x6]C[3x6]C[4x6])(C[6,6]C[5,6]C[6]H)2	H(C[6,6]C[3x6]C[5,6]C[6])	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[4x6])(C[6,6]C[5,6]C[6]H)2{1|Si<4>,3|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[5,6]C[6])	107.2100	0.000	1	107.2100	0.000	1	107.3825	0.060	2	107.3825	0.060	2	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	3:4:4:1:	3:4:4:	4:	C[3x6]-3:C[5,6]-4:C[6]-4:H-1:	C[4x6]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]Si[6]HH)(H)	C[3x6](C[4x6]C[3x6]C[4x6])(C[6,6]C[5,6]C[6]H)2	H(C[6,6]C[3x6]C[5,6]C[6])	C[6,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5,6]C[5]H)(C[6]Si[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[3x6](C[4x6]C[3x6]C[4x6])(C[6,6]C[5,6]C[6]H)2{1|Si<4>,3|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[5,6]C[6])	107.5550	0.000	1	107.5550	0.000	1	107.3825	0.060	2	107.3825	0.060	2	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	3:4:4:1:	4:4:3:	4:	C[3x6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	107.8050	0.000	1	107.8050	0.000	1	107.8050	0.000	1	107.9187	0.118	3	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	3:4:4:1:	4:4:3:	4:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,3|O<2>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6470	0.000	1	107.6470	0.000	1	107.9755	0.216	2	107.9187	0.118	3	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	3:4:4:1:	4:4:3:	4:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[6]HH)2(H)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]I)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,1|O<1>,3|C<4>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]I){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.3040	0.000	1	108.3040	0.000	1	107.9755	0.216	2	107.9187	0.118	3	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:2:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[6,6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]O[6])(H)2	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[3x6])	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]O[6])(H)2{2|H<1>,5|C<4>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[3x6]){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:3:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.5817	0.405	52	109.5843	0.146	60	109.5843	0.146	60	109.5321	0.124	83	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:3:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.6011	0.176	8	109.5843	0.146	60	109.5843	0.146	60	109.5321	0.124	83	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:3:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Mn<5>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.4691	0.129	7	109.5003	0.017	16	109.3960	0.044	23	109.5321	0.124	83	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:3:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Mn<5>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.4814	0.099	5	109.5003	0.017	16	109.3960	0.044	23	109.5321	0.124	83	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:3:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Mn<6>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.5782	0.159	4	109.5003	0.017	16	109.3960	0.044	23	109.5321	0.124	83	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:1:1:	3:4:3:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Re)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Re<6>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Re){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.1577	0.157	7	109.1577	0.025	7	109.3960	0.044	23	109.5321	0.124	83	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:1:1:	4:2:2:	4:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-2:C[6,6]-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2P)(C[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6])2	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2P)(C[3x6]C[6,6]2)(H)2{2|C<3>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6])2{1|P<4>,3|C<2>}	H(C[6,6]C[3x6]2H)	108.5860	5.667	2	108.5860	32.112	2	108.5860	32.112	2	108.5860	32.112	2	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:2:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6,6])	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6,6]){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.5445	0.013	2	109.5445	0.000	2	109.3433	0.110	10	109.3433	0.110	10	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:2:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.5855	0.018	2	109.2930	0.127	8	109.3433	0.110	10	109.3433	0.110	10	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:2:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.1955	0.364	6	109.2930	0.127	8	109.3433	0.110	10	109.3433	0.110	10	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6,6]C[3x6]2H)	107.2763	2.512	4	107.2763	6.309	4	107.2763	6.309	4	107.2763	6.309	4	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3{3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	110.6703	1.621	23	110.6703	2.628	23	110.6703	2.628	23	110.2448	3.538	29	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(C[3x6]C[6,6]2)(H)2	C[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]N[3x6]HH)(C[3x6]C[6,6]2)(H)2{1|Ga<5>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)3{1|N<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.6138	2.055	6	108.6138	4.225	6	108.6138	4.225	6	110.2448	3.538	29	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:3:1:	4:4:3:	4:	C[4x6]-4:C[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6])(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C)	H(C[6,6]C[3x6]C[4x6]C[6a])	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,5|C<3>,5|H<1>}	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[4x6]C[6a])	106.8950	1.454	2	106.8950	2.114	2	106.8950	2.114	2	106.8950	2.114	2	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:4:1:	3:4:3:	4:	C[4,6,6]-4:C[3x6]-3:C-4:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(CH3)(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]CH)(N[6]C[6]Re)	H(C[6,6]C[4,6,6]C[3x6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(CH3)(H){1|Re<6>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]CH)(N[6]C[6]Re){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[3x6]C)	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[3x6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[3x6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(C[3x6]C[6,6]2)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]O[6])(C[6,6]C[6]2)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(C[3x6]C[6,6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]O[6])(C[6,6]C[6]2){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.4190	0.000	1	106.4190	0.000	1	106.4190	0.000	1	106.4190	0.000	1	109.4338	1.698	151	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:2:2:1:	4:4:3:	4:	C[6,6]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]O[6]2)	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:2:3:1:	4:3:3:	4:	C[6,6]-3:O[6]-2:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	108.1960	0.000	2	108.1960	0.000	2	108.1960	0.000	2	108.1960	0.000	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:2:4:1:	3:4:2:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6]C[6,6a])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6]C[6,6a]){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:2:4:1:	3:4:3:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5a,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	106.8675	0.077	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:2:4:1:	3:4:3:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	106.6710	0.000	1	106.6710	0.000	1	106.6710	0.000	1	106.8675	0.077	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:2:4:1:	4:3:3:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]N)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	97.7077	0.000	1	97.7077	0.000	1	107.1365	29.530	5	107.1365	29.530	5	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:2:4:1:	4:3:3:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.1430	0.000	1	108.1430	0.000	1	107.1365	29.530	5	107.1365	29.530	5	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:2:4:1:	4:3:3:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8000	0.000	1	108.8000	0.000	1	107.1365	29.530	5	107.1365	29.530	5	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:2:4:1:	4:3:3:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]N[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]N[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3770	0.000	1	109.3770	0.000	1	107.1365	29.530	5	107.1365	29.530	5	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:2:4:1:	4:3:3:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]OO)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]OO)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H){1|S<4>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	111.6550	0.000	1	111.6550	0.000	1	107.1365	29.530	5	107.1365	29.530	5	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:2:4:1:	4:3:4:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:2:4:1:	4:4:1:	4:	C[6,6]-3:S[6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]O)(S[6]C[5,6,6])(C[6]C[6]HO)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]S[6]H)(O)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[5,6,6]O)(S[6]C[5,6,6])(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]S[6]H)(O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	108.1715	0.274	2	108.1715	0.075	2	108.1715	0.075	2	108.1715	0.075	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:1:1:	4:4:1:	4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]H)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]H)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	111.7865	3.767	2	111.7865	14.188	2	111.7865	14.188	2	111.7865	14.188	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:1:1:	4:4:2:	4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5173	0.031	3	109.5173	0.001	3	109.5173	0.001	3	109.5173	0.001	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[3x6]H)	109.3785	0.025	2	109.3643	0.001	3	109.3643	0.001	3	109.4461	0.005	9	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.3360	0.000	1	109.3643	0.001	3	109.3643	0.001	3	109.4461	0.005	9	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6]-3:N[4x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH)	H(C[6,6]C[6,6]N[4x6]H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[4x6]H)	109.4925	0.013	2	109.4870	0.002	6	109.4870	0.002	6	109.4461	0.005	9	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6]-3:N[4x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH)	H(C[6,6]C[6,6]N[4x6]H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH){1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]N[4x6]H)	109.5260	0.048	2	109.4870	0.002	6	109.4870	0.002	6	109.4461	0.005	9	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6]-3:N[4x6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH)	H(C[6,6]C[6,6]N[4x6]H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCH){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[4x6]H)	109.4425	0.019	2	109.4870	0.002	6	109.4870	0.002	6	109.4461	0.005	9	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:2:1:	4:2:3:	4:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	C[6,6]-4:N[6]-2:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(O[6]C[6])(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a])(C[6]C[6]S)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(O[6]C[6])(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a])(C[6]C[6]S){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	108.1870	1.526	2	108.1870	2.328	2	108.1870	2.328	2	108.1870	2.328	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:2:1:	4:3:3:	4:	C[5a,6]-3:C[6,6]-3:S[6]-2:H-1:	C[6,6]-4:N[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	H(C[6,6]C[5a,6]C[6,6]S[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|N<3>,5|C<3>}	H(C[6,6]C[5a,6]C[6,6]S[6])	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:2:1:	4:4:2:	4:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CC)(N[6]C[6,6a])	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H){2|C<4>,4|C<3>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CC)(N[6]C[6,6a]){1|C<4>,4|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	107.4110	0.000	1	107.4110	0.000	1	107.4110	0.000	1	107.4110	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	106.5810	0.000	1	106.5810	0.000	1	106.5810	0.000	1	106.5810	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6,6]C[6,6a]C[6,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6,6])	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	107.2980	0.151	2	107.2980	0.023	2	107.2980	0.023	2	107.2980	0.023	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:3:1:	4:4:1:	4:	C[5a,6]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(O)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(O){1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[5a,6]C[6,6]N[6])	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	108.4105	2.216	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:3:1:	4:4:1:	4:	C[6,6]-3:C[6]-3:C[6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]O)(C[6]C[6]H)2(H)	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]O)(C[6]C[6]H)2(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(O){4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	108.4105	2.216	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[5a,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6a]N[5a,6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]N[5a,6]H)(C[6]O[6]CC)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[5a,6]C[6,6])	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	3:3:4:	4:	C[6,6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.7375	0.329	2	107.7375	0.108	2	107.7375	0.108	2	107.9887	0.243	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	3:3:4:	4:	C[6,6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]C[6]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	107.9887	0.243	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	3:4:4:	4:	C[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(C[6]N[6]HH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.1015	0.767	2	107.1015	0.589	2	107.1015	0.589	2	107.1015	0.589	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:2:	4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(O[6]C[6])	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]CC)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	108.7220	0.000	1	108.7220	0.000	1	108.7220	0.000	1	108.7220	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]O)(C[6]O[6]C)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]O)(C[6]O[6]C){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1	108.4254	2.011	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])2(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6,6]C[6,6]3)	C[6,6](C[6,6]C[6,6]C[6])2(C[6,6]C[6,6]HH)(H){1|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]3)	110.3580	0.034	2	110.3580	0.001	2	110.3580	0.001	2	108.4254	2.011	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7060	0.000	1	106.7060	0.000	1	106.7060	0.000	1	108.4254	2.011	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	108.4254	2.011	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]2)	109.8030	0.168	2	109.6613	0.074	3	109.0083	1.210	8	108.4254	2.011	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]2)	109.3780	0.000	1	109.6613	0.074	3	109.0083	1.210	8	108.4254	2.011	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]2)	109.5850	0.000	1	109.9310	0.239	2	109.0083	1.210	8	108.4254	2.011	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]2)	110.2770	0.000	1	109.9310	0.239	2	109.0083	1.210	8	108.4254	2.011	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]2)	107.3150	0.000	1	107.3150	0.000	1	109.0083	1.210	8	108.4254	2.011	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]2)	107.9525	0.016	2	107.9525	0.000	2	109.0083	1.210	8	108.4254	2.011	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.8840	0.000	1	106.8840	0.000	1	106.9675	0.406	4	108.4254	2.011	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6])(C[6]O[6]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6])(C[6]O[6]O){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.5740	0.000	1	106.5740	0.000	1	106.9675	0.406	4	108.4254	2.011	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O){2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.8920	0.000	1	107.8920	0.000	1	106.9675	0.406	4	108.4254	2.011	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]C[6]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.5200	0.000	1	106.5200	0.000	1	106.9675	0.406	4	108.4254	2.011	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:4:	4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.7920	0.000	1	108.7920	0.000	1	108.5610	0.061	3	108.5610	0.061	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:3:4:	4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|S<4>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.4455	0.204	2	108.4455	0.042	2	108.5610	0.061	3	108.5610	0.061	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:	4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H){4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.7980	0.000	1	108.7980	0.000	1	108.7980	0.000	1	109.0413	0.231	7	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:	4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]CC)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	109.0413	0.231	7	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:	4:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(O){2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	109.0413	0.231	7	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:	4:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H){6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7060	0.123	2	108.7060	0.015	2	109.2155	0.360	4	109.0413	0.231	7	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:1:	4:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)2(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7250	0.161	2	109.7250	0.026	2	109.2155	0.360	4	109.0413	0.231	7	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6,6]C[6]S[6]C)(C[6]C[6,6a]H)	H(C[6,6]C[5a,6]C[6,6]2)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6,6]C[6]S[6]C)(C[6]C[6,6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6]2)	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	107.2982	0.443	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|S<4>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.8350	0.000	1	107.8350	0.000	1	107.8350	0.000	1	107.2982	0.443	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|S<4>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.2193	0.429	3	108.2193	0.184	3	107.8415	0.694	4	107.2982	0.443	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7080	0.000	1	106.7080	0.000	1	107.8415	0.694	4	107.2982	0.443	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6]-3:N[4x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH)	H(C[6,6]C[6,6]N[4x6]C)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[4x6]C)	106.9770	0.000	1	107.0692	0.041	4	107.0692	0.041	4	107.2982	0.443	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6]-3:N[4x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH)	H(C[6,6]C[6,6]N[4x6]C)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(CHH){1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]N[4x6]C)	107.1000	0.235	3	107.0692	0.041	4	107.0692	0.041	4	107.2982	0.443	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.2590	0.000	1	106.2590	0.000	1	106.2590	0.000	1	107.2982	0.443	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:	4:	N[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)	H(C[6,6]N[5a,6]C[6,6]C[6])	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[6,6]N[5a,6]C[6,6]C[6])	107.2430	0.000	1	107.2430	0.000	1	107.2430	0.000	1	107.2982	0.443	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:3:4:1:	4:4:3:	4:	N[6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H){1|C<4>,1|S<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	107.1770	0.000	1	107.1770	0.000	1	107.1770	0.000	1	107.2982	0.443	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:1:1:	4:4:1:	4:	C[6,6]-3:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]C)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]C)(C[6,6]C[3x6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.9373	0.024	3	109.9373	0.001	3	110.2506	0.038	16	110.2506	0.038	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:1:1:	4:4:1:	4:	C[6,6]-3:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.4185	0.048	8	110.4185	0.002	8	110.2506	0.038	16	110.2506	0.038	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:1:1:	4:4:1:	4:	C[6,6]-3:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2	C[6,6](C[5,3x6]C[5,6,6]N[5,6,6]H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]N[5,6,6]H)(C[6,6]C[3x6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	110.1700	0.042	5	110.1700	0.002	5	110.2506	0.038	16	110.2506	0.038	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6,6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[6,6]C[6]O[6]H)(O[6]C[6])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(O[6]C[6])(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[6,6]C[6]O[6]H)(O[6]C[6]){1|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.1500	0.000	1	108.1500	0.000	1	108.1500	0.000	1	108.1500	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8070	0.000	1	108.8070	0.000	1	108.6135	0.075	2	108.3277	0.283	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.4200	0.000	1	108.4200	0.000	1	108.6135	0.075	2	108.3277	0.283	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:S[6]-2:H-1:	C[6,6]-3:C[6,6]-4:N[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(S[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(S[6]C[6,6a])(H){1|H<1>,7|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]S[6])	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	108.3277	0.283	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.8030	0.000	1	106.8030	0.000	1	110.2147	8.194	4	110.2147	8.194	4	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9390	0.000	1	108.9390	0.000	1	110.2147	8.194	4	110.2147	8.194	4	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	112.5585	0.573	2	112.5585	0.329	2	110.2147	8.194	4	110.2147	8.194	4	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[3x6]C[6])(C[6]O[6]O)	H(C[6,6]C[6,6]O[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[3x6]C[6])(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]O[6,6]C[6])	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:3:4:	4:	C[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O[6]C[5,5,6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O[6]C[5,5,6])(H){1|C<3>,1|O<2>,7|C<4>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]CC){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2O[6])	108.1880	0.000	1	108.1880	0.000	1	108.4123	0.045	3	108.4123	0.045	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:3:4:	4:	C[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]2O[6])	108.5245	0.117	2	108.5245	0.014	2	108.4123	0.045	3	108.4123	0.045	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:	4:	C[6,6]-3:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(O)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(O){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	106.6125	0.556	2	107.0397	0.702	3	107.0397	0.702	3	109.9091	2.339	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:	4:	C[6,6]-3:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(O)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H){1|Cl<1>,1|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(O){1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]O)	107.8940	0.000	1	107.0397	0.702	3	107.0397	0.702	3	109.9091	2.339	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)2(O){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.6252	0.926	4	110.5393	0.284	12	110.5712	0.274	13	109.9091	2.339	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)2(O){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.4310	0.069	2	110.5393	0.284	12	110.5712	0.274	13	109.9091	2.339	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)2(O){2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.5182	0.315	6	110.5393	0.284	12	110.5712	0.274	13	109.9091	2.339	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)2(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.9540	0.000	1	110.9540	0.000	1	110.5712	0.274	13	109.9091	2.339	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:2:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6,6]C[6]O[6]H)(N[6]C[6])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6,6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6,6]C[6]O[6]H)(N[6]C[6]){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]H){5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.2225	0.023	2	108.2225	0.001	2	108.5134	0.210	5	109.4181	2.854	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.7475	0.739	2	108.7073	0.278	3	108.5134	0.210	5	109.4181	2.854	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6270	0.000	1	108.7073	0.278	3	108.5134	0.210	5	109.4181	2.854	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.5850	0.000	2	109.5850	0.000	2	110.0643	3.923	7	109.4181	2.854	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.0510	0.000	1	108.0510	0.000	1	110.0643	3.923	7	109.4181	2.854	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6445	0.074	2	109.6445	0.006	2	110.0643	3.923	7	109.4181	2.854	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	114.3580	0.000	1	111.9700	11.405	2	110.0643	3.923	7	109.4181	2.854	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H){1|N<3>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5820	0.000	1	111.9700	11.405	2	110.0643	3.923	7	109.4181	2.854	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]){1|Si<4>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.7620	0.000	1	104.7620	0.000	1	104.7620	0.000	1	107.4716	2.039	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4455	0.900	2	105.4455	0.810	2	105.4455	0.810	2	107.4716	2.039	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.4765	0.474	2	107.4787	0.113	3	108.1478	0.392	10	107.4716	2.039	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.4830	0.000	1	107.4787	0.113	3	108.1478	0.392	10	107.4716	2.039	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]N)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.4690	0.000	1	109.4690	0.000	1	108.1478	0.392	10	107.4716	2.039	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.2622	0.167	6	108.2622	0.028	6	108.1478	0.392	10	107.4716	2.039	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:3:2:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:S[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(S[6]C[6])	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5140	0.000	1	107.5140	0.000	1	107.5140	0.000	1	107.5140	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6,6a]O)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.5360	0.000	1	106.5360	0.000	1	106.5360	0.000	1	107.7686	4.845	5	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	105.9260	0.000	1	105.9260	0.000	1	105.9260	0.000	1	107.7686	4.845	5	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6,6]C[6,6a]C[3x6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[3x6]C[6,6])	110.1665	0.057	2	110.1665	0.003	2	110.1665	0.003	2	107.7686	4.845	5	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O){1|C<4>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.0480	0.000	1	106.0480	0.000	1	106.0480	0.000	1	107.7686	4.845	5	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]O[6]O)(H){2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[6]2H)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.7970	0.267	2	109.7970	0.071	2	109.7970	0.071	2	109.2007	0.376	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)2(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3730	0.000	1	108.3730	0.000	1	108.3730	0.000	1	109.2007	0.376	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H){6|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6]2H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4090	0.000	1	108.4090	0.000	1	109.1601	0.331	9	109.2007	0.376	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]O)(H){1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1360	0.000	1	109.1360	0.000	1	109.1601	0.331	9	109.2007	0.376	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.5515	0.036	2	108.5515	0.001	2	109.1601	0.331	9	109.2007	0.376	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)2(O){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9930	0.000	1	108.9930	0.000	1	109.1601	0.331	9	109.2007	0.376	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){2|C<4>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5105	0.012	2	109.5105	0.000	2	109.1601	0.331	9	109.2007	0.376	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)2(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.8895	0.084	2	109.8895	0.007	2	109.1601	0.331	9	109.2007	0.376	12	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	107.8336	0.606	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	107.8336	0.606	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4870	0.000	1	106.4870	0.000	1	108.0132	0.613	11	107.8336	0.606	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3285	0.091	2	107.3285	0.008	2	108.0132	0.613	11	107.8336	0.606	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9700	0.000	1	107.9060	0.008	2	108.0132	0.613	11	107.8336	0.606	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8420	0.000	1	107.9060	0.008	2	108.0132	0.613	11	107.8336	0.606	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6402	0.463	5	108.6402	0.214	5	108.0132	0.613	11	107.8336	0.606	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9880	0.000	1	107.9880	0.000	1	108.0132	0.613	11	107.8336	0.606	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:S[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(S[6]N[5,6]OO)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(S[6]N[5,6]OO)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7750	0.000	1	107.7750	0.000	1	107.7750	0.000	1	107.8336	0.606	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	107.8336	0.606	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	N[5a,6]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H)	H(C[6,6]N[5a,6]C[6,6]C[6])	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H){1|N<3>,4|H<1>,5|C<3>}	H(C[6,6]N[5a,6]C[6,6]C[6])	108.3260	0.000	1	108.3260	0.000	1	108.3260	0.000	1	107.8336	0.606	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6])	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6]){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0125	0.015	2	107.0125	0.000	2	105.9318	1.502	6	105.9318	1.502	6	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6])	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6]){1|O<2>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.2505	0.426	2	105.2505	0.182	2	105.9318	1.502	6	105.9318	1.502	6	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6])	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6]){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1640	0.000	1	104.1640	0.000	1	105.9318	1.502	6	105.9318	1.502	6	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6])	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6]){1|C<4>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.9010	0.000	1	106.9010	0.000	1	105.9318	1.502	6	105.9318	1.502	6	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2513	0.408	3	108.2513	0.167	3	108.2513	0.167	3	106.8434	6.227	24	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8710	0.235	2	105.8710	0.055	2	105.8710	0.055	2	106.8434	6.227	24	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2049	0.220	7	108.2012	0.041	9	106.7857	7.847	18	106.8434	6.227	24	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1885	0.194	2	108.2012	0.041	9	106.7857	7.847	18	106.8434	6.227	24	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[5,6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[5,6]H){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8647	0.469	3	106.8647	0.220	3	106.7857	7.847	18	106.8434	6.227	24	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5640	0.000	1	105.5640	0.000	1	106.7857	7.847	18	106.8434	6.227	24	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8620	0.000	1	101.7701	51.855	2	106.7857	7.847	18	106.8434	6.227	24	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	96.6782	0.000	1	101.7701	51.855	2	106.7857	7.847	18	106.8434	6.227	24	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)2(H){1|S<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7215	2.913	2	105.7215	8.483	2	106.7857	7.847	18	106.8434	6.227	24	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1910	0.000	1	107.1910	0.000	1	106.7857	7.847	18	106.8434	6.227	24	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	105.6030	0.000	1	105.6030	0.000	1	105.6030	0.000	1	106.8434	6.227	24	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:4:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	108.6140	0.000	1	108.6140	0.000	1	108.6140	0.000	1	107.3390	0.952	4	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]P[5])(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]P[5])(C[6,6]C[6]2H)(C[6]C[6]HH){1|B<4>,1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9670	0.000	1	106.9670	0.000	1	106.9670	0.000	1	107.3390	0.952	4	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<2>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,4|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3020	0.000	1	106.3020	0.000	1	106.8875	0.686	2	107.3390	0.952	4	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4730	0.000	1	107.4730	0.000	1	106.8875	0.686	2	107.3390	0.952	4	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:2:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]C)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]C){3|H<1>,3|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0350	0.000	1	107.0350	0.000	1	107.0350	0.000	1	107.0350	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]O[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,2|O<2>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	109.8780	0.000	1	109.8780	0.000	1	109.4765	1.705	4	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	108.4200	0.000	1	108.4200	0.000	1	109.4765	1.705	4	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6])(C[6]N[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6])(C[6]N[6]O){3|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	109.8040	1.904	2	109.8040	3.623	2	109.4765	1.705	4	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1990	0.547	2	107.5517	1.407	3	107.5517	1.407	3	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2570	0.000	1	107.5517	1.407	3	107.5517	1.407	3	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1240	0.000	1	107.1240	0.000	1	107.7021	0.407	18	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5720	0.000	1	107.5720	0.000	1	107.7021	0.407	18	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)2	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)2{1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0960	0.230	5	107.0960	0.053	5	107.7021	0.407	18	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]O[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H){2|C<3>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]O[6]H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8100	0.000	1	106.8100	0.000	1	107.7021	0.407	18	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9005	0.375	2	108.9005	0.141	2	107.7021	0.407	18	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|N<3>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0900	0.000	1	108.0900	0.000	1	107.7021	0.407	18	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9230	0.000	1	107.9417	0.026	3	107.7021	0.407	18	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7910	0.000	1	107.9417	0.026	3	107.7021	0.407	18	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1110	0.000	1	107.9417	0.026	3	107.7021	0.407	18	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9420	0.000	1	107.9838	0.008	4	107.7021	0.407	18	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9977	0.101	3	107.9838	0.008	4	107.7021	0.407	18	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:N[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	107.9556	1.034	26	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:4:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8820	0.451	2	106.8820	0.204	2	106.8820	0.204	2	106.8217	0.113	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7010	0.000	1	106.7010	0.000	1	106.7010	0.000	1	106.8217	0.113	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:	4:	C[6,6]-3:C[3x6]-4:C-4:H-1:	C[5,4x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(O)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.1890	0.000	1	107.3255	0.037	2	107.3255	0.037	2	108.7436	1.796	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:	4:	C[6,6]-3:C[3x6]-4:C-4:H-1:	C[5,4x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(O)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	107.4620	0.000	1	107.3255	0.037	2	107.3255	0.037	2	108.7436	1.796	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3567	0.115	3	108.3567	0.013	3	108.9461	1.716	14	108.7436	1.796	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4050	0.373	2	108.4050	0.139	2	108.9461	1.716	14	108.7436	1.796	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1900	0.000	1	109.1900	0.000	1	108.9461	1.716	14	108.7436	1.796	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CO)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.6210	3.736	2	110.6210	13.960	2	108.9461	1.716	14	108.7436	1.796	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]ClS)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]ClS)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|Cl<1>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9380	0.000	1	108.9380	0.000	1	108.9461	1.716	14	108.7436	1.796	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3780	0.000	1	108.3780	0.000	1	108.9461	1.716	14	108.7436	1.796	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4360	0.000	1	108.4360	0.000	1	108.9461	1.716	14	108.7436	1.796	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8430	0.000	1	108.8430	0.000	1	108.9461	1.716	14	108.7436	1.796	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)2(O){2|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1695	0.432	2	109.1695	0.187	2	108.9461	1.716	14	108.7436	1.796	16	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:2:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(NN[5])	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]N)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(NN[5]){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	106.8130	2.396	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:2:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]N[6])	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]N[6]){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.9220	0.167	2	105.9220	0.028	2	105.9220	0.028	2	106.8130	2.396	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]2C)(C[6,6]C[6,6]O[6])	H(C[6,6]C[5,6]C[6,6]2)	C[6,6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,3|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]2C)(C[6,6]C[6,6]O[6]){1|C<3>,4|H<1>,4|O<2>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]2)	105.7460	0.000	1	105.7460	0.000	1	105.7460	0.000	1	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.4970	0.000	1	108.4970	0.000	1	108.4970	0.000	1	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.7160	0.000	1	106.1555	0.262	8	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,3|H<1>,8|C<4>}	H(C[6,6]C[6,6]2C[6])	105.0510	0.000	1	106.1555	0.262	8	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){5|H<1>,8|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0700	0.000	1	106.1555	0.262	8	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2523	0.255	4	106.1555	0.262	8	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<2>,4|H<1>,8|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3980	0.000	1	106.1555	0.262	8	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){2|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5215	0.251	2	106.5215	0.063	2	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.5760	0.000	1	106.6240	0.439	42	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6887	0.918	6	106.6240	0.439	42	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.2210	0.000	1	106.6240	0.439	42	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3123	0.246	3	106.6240	0.439	42	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8221	0.263	17	106.6240	0.439	42	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.0784	0.287	9	106.6240	0.439	42	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5320	0.475	5	106.6240	0.439	42	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H){2|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8905	0.507	2	106.8905	0.257	2	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HO)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8370	0.000	1	105.8370	0.000	1	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6975	0.575	2	106.6975	0.330	2	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.9510	0.000	1	105.9510	0.000	1	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.0410	0.000	1	106.0410	0.000	1	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9650	0.000	1	104.9650	0.000	1	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]H){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	108.0930	0.000	1	108.0930	0.000	1	106.5337	0.470	61	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9985	0.043	2	106.9985	0.002	2	106.9985	0.002	2	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2825	0.556	2	107.2825	0.310	2	106.9497	0.487	3	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2840	0.000	1	106.2840	0.000	1	106.9497	0.487	3	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(C[5]C[5,5a]2)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(C[5]C[5,5a]2){2|C<4>,4|C<3>,8|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.0160	0.000	1	110.0160	0.000	1	110.0160	0.000	1	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]H){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3710	0.122	2	108.3710	0.015	2	108.3710	0.015	2	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2){2|C<3>,3|C<4>,9|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5990	0.171	2	108.5990	0.029	2	108.5990	0.029	2	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0250	0.000	1	106.7300	0.148	3	107.5807	0.412	19	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5825	0.407	2	106.7300	0.148	3	107.5807	0.412	19	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2543	0.235	3	107.2543	0.055	3	107.5807	0.412	19	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9110	0.000	1	107.9110	0.000	1	107.5807	0.412	19	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7980	0.000	1	107.9362	0.203	5	107.5807	0.412	19	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9707	0.513	4	107.9362	0.203	5	107.5807	0.412	19	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0500	0.000	1	109.0500	0.000	1	107.5807	0.412	19	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H)	C[6,6](C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HP)(H){1|B<4>,1|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]H){1|P<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9130	0.000	1	106.9130	0.000	1	107.5807	0.412	19	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4620	0.075	2	107.4620	0.006	2	107.5807	0.412	19	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6310	0.000	1	107.7840	0.047	2	107.5807	0.412	19	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9370	0.000	1	107.7840	0.047	2	107.5807	0.412	19	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C){2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0330	0.000	1	108.0330	0.000	1	107.5807	0.412	19	106.9304	0.883	93	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:3:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.5196	0.213	20	109.4479	0.661	46	109.4479	0.661	46	109.4479	0.661	46	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:3:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{1|H<1>,5|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.3595	0.029	2	109.4479	0.661	46	109.4479	0.661	46	109.4479	0.661	46	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:3:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{2|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.6365	0.139	6	109.4479	0.661	46	109.4479	0.661	46	109.4479	0.661	46	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:3:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{2|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.3153	1.286	18	109.4479	0.661	46	109.4479	0.661	46	109.4479	0.661	46	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:3:3:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.4570	0.013	2	109.4570	0.000	2	109.5012	0.004	4	109.5012	0.004	4	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:3:3:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]O)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]O){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.5455	0.064	2	109.5455	0.004	2	109.5012	0.004	4	109.5012	0.004	4	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]O)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(O)	H(C[6,6]C[3,3x6]C[6,6]H)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(O){3|H<1>,4|C<4>}	H(C[6,6]C[3,3x6]C[6,6]H)	108.7458	0.090	5	108.7458	0.008	5	108.7458	0.008	5	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7422	3.021	4	109.7422	9.128	4	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]O)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	107.3605	0.532	2	107.3605	0.284	2	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O){1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.7545	0.040	2	109.7545	0.002	2	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.9895	1.025	2	108.9895	1.050	2	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	H(C[6,6]C[3x6]C[6,6]H)	110.2623	0.388	3	110.2623	0.150	3	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.0725	0.021	2	109.3061	0.023	10	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2{2|C<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.3645	0.097	8	109.3061	0.023	10	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.4840	0.000	1	108.3570	1.204	3	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	107.7935	0.709	2	108.3570	1.204	3	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8598	0.128	4	109.9315	0.022	8	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.0033	0.147	4	109.9315	0.022	8	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9240	0.045	2	109.7937	0.027	6	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5880	0.021	2	109.7937	0.027	6	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8690	0.013	2	109.7937	0.027	6	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9218	0.049	4	109.9218	0.002	4	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5435	0.043	2	109.5435	0.002	2	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	108.7482	1.265	4	108.7482	1.600	4	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(O){1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	110.3426	0.150	16	110.3426	0.022	16	109.6600	1.043	66	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{1|O<2>,4|C<4>}	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9550	0.085	4	109.9550	0.007	4	109.8266	0.032	14	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5560	0.027	2	109.6763	0.030	6	109.8266	0.032	14	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.8965	0.013	2	109.6763	0.030	6	109.8266	0.032	14	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.5765	0.060	2	109.6763	0.030	6	109.8266	0.032	14	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{1|C<3>,4|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9120	0.004	2	109.9235	0.000	4	109.8266	0.032	14	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{5|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(O){1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9350	0.010	2	109.9235	0.000	4	109.8266	0.032	14	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(H)2	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(O)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(O){5|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9965	0.029	2	109.9965	0.001	2	109.9965	0.001	2	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(O)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.1760	0.006	2	109.1760	0.000	2	109.1760	0.000	2	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.1675	0.078	2	109.1675	0.006	2	109.1675	0.006	2	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.2730	0.074	2	109.1720	0.015	4	109.1720	0.015	4	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.0710	0.011	2	109.1720	0.015	4	109.1720	0.015	4	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.6160	0.041	2	109.5937	0.015	9	109.5937	0.015	9	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O){3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.5075	0.018	2	109.5937	0.015	9	109.5937	0.015	9	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.3570	0.000	1	109.5937	0.015	9	109.5937	0.015	9	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.6847	0.062	4	109.5937	0.015	9	109.5937	0.015	9	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[4x6]O)(H)2	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(O)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[4x6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.8505	0.043	2	109.8505	0.002	2	109.8505	0.002	2	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)2	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[5,3x6]HH)(O)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)2{2|H<1>,2|O<2>,6|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[5,3x6]HH)(O){2|O<2>,5|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.9170	0.000	1	109.9170	0.000	1	109.9170	0.000	1	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(O)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.9600	0.391	4	109.9600	0.153	4	109.7925	0.086	11	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(O)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.6368	0.099	4	109.6368	0.010	4	109.7925	0.086	11	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(O)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	110.1000	0.000	1	110.1000	0.000	1	109.7925	0.086	11	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2O)(O)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2O)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	109.6155	0.006	2	109.6155	0.000	2	109.7925	0.086	11	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[5,4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(O)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(O){3|C<4>,4|H<1>}	H(C[6,6]C[5,4x6]C[6,6]H)	109.8360	0.000	1	109.8360	0.000	1	109.4463	0.114	3	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[5,4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(O)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]O)(H)2{5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(O){3|C<4>,4|H<1>}	H(C[6,6]C[5,4x6]C[6,6]H)	109.2515	0.005	2	109.2515	0.000	2	109.4463	0.114	3	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[5,5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(O)	H(C[6,6]C[5,5,3x6]C[6,6]H)	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(O){3|C<4>,4|H<1>}	H(C[6,6]C[5,5,3x6]C[6,6]H)	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]O)(H)2	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]HH)(O)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]O)(H)2{1|C<2>,2|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	106.6815	1.813	4	106.6815	3.287	4	106.6815	3.287	4	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	C[6x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(O)	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]O)(H)2{5|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(O){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6x6]H)	108.4490	1.607	4	108.4490	2.583	4	108.4490	2.583	4	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(O)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|F<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(O){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.8615	0.288	2	109.8615	0.083	2	109.8615	0.083	2	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2955	2.672	4	109.2955	7.141	4	109.8050	4.913	6	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:1:	4:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.8240	0.158	2	110.8240	0.025	2	109.8050	4.913	6	109.5180	1.153	138	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:2:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(H)2	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(NC)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(NC){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.0620	0.010	2	109.0620	0.000	2	109.0620	0.000	2	109.6792	0.318	5	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:2:	4:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NN){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	110.0907	0.045	3	110.0907	0.002	3	110.0907	0.002	3	109.6792	0.318	5	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCH){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.9007	0.077	4	109.9007	0.006	4	109.8124	0.013	8	109.5604	0.748	36	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	109.6745	0.012	2	109.6745	0.000	2	109.8124	0.013	8	109.5604	0.748	36	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCH)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCH){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	109.7735	0.026	2	109.7735	0.001	2	109.8124	0.013	8	109.5604	0.748	36	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	109.4145	0.059	2	110.0666	1.664	10	110.0666	1.664	10	109.5604	0.748	36	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.2755	0.021	2	110.0666	1.664	10	110.0666	1.664	10	109.5604	0.748	36	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	109.6610	0.047	2	110.0666	1.664	10	110.0666	1.664	10	109.5604	0.748	36	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CHH){3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	110.9910	1.744	4	110.0666	1.664	10	110.0666	1.664	10	109.5604	0.748	36	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(H)2	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2O)(CHH)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2O)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	110.1585	0.022	2	110.1585	0.000	2	110.1585	0.000	2	109.5604	0.748	36	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH)	H(C[6,6]C[5,5x6]C[6,6]H)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,5x6]C[6,6]H)	109.3978	0.621	4	109.4435	0.237	6	109.4435	0.237	6	109.5604	0.748	36	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,5x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH)	H(C[6,6]C[5,5x6]C[6,6]H)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,5x6]HH)(C[3x6]C[6,6]2H)(CHH){2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[5,5x6]C[6,6]H)	109.5350	0.052	2	109.4435	0.237	6	109.4435	0.237	6	109.5604	0.748	36	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(CHH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(CHH){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	108.7343	0.176	6	108.7343	0.031	6	108.8031	0.035	10	109.5604	0.748	36	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHH){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	109.0520	0.007	2	108.9062	0.029	4	108.8031	0.035	10	109.5604	0.748	36	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHH)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHH){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	108.7605	0.033	2	108.9062	0.029	4	108.8031	0.035	10	109.5604	0.748	36	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	3:4:4:	4:	C[4x6]-4:C[6,6]-3:O[6]-2:H-1:	C[3x6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6])(O[6]C[6])(H)	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH)	H(C[6,6]C[4x6]C[6,6]O[6])	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6])(O[6]C[6])(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH){4|C<3>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]O[6])	107.5140	0.000	1	107.5140	0.000	1	107.5140	0.000	1	107.5140	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:1:	4:	C[4,6,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HO)(C[6,6]C[4,6,6]C)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(OH)(H){2|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]HO)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	108.4140	0.141	3	108.4140	0.020	3	108.4140	0.020	3	108.4140	0.020	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:2:	4:	C[6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6]-4:N[6]-3:N[6]-2:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]N[6]2)(S[6]C[6,6a])(H)	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]C)(N[6]C[6,6a])	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6]C[6,6a]HH)(C[6,6]N[6]2)(S[6]C[6,6a])(H){1|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]C)(N[6]C[6,6a]){2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]S[6])	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:N[3x6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	107.8148	0.931	5	107.8148	0.866	5	108.0525	1.032	6	107.9714	0.635	10	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:N[3x6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[6a]H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]O)	109.2410	0.000	1	109.2410	0.000	1	108.0525	1.032	6	107.9714	0.635	10	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6]-4:N[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	H(C[6,6]C[5,6]C[6,6]S[6])	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,5|C<3>}	H(C[6,6]C[5,6]C[6,6]S[6])	107.7560	0.021	2	107.7560	0.000	2	107.7560	0.000	2	107.9714	0.635	10	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C)	H(C[6,6]C[6,6]2S[6])	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H){1|C<4>,7|C<3>}	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[6,6]C[6,6]2S[6])	108.4000	0.000	1	108.4000	0.000	1	108.4000	0.000	1	107.9714	0.635	10	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6,6]-3:S[6]-2:H-1:	C[6,6]-4:N[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|H<1>,7|C<3>}	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]S[6])	107.4870	0.000	1	107.4870	0.000	1	107.4870	0.000	1	107.9714	0.635	10	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:C-2:H-1:	C[6,6]-4:N[3x6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(CC)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	112.0450	0.000	1	112.0450	0.000	1	112.0450	0.000	1	109.5606	3.607	9	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]O)	108.8110	0.223	2	108.8110	0.050	2	107.9780	1.182	4	109.5606	3.607	9	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]O)	107.7450	0.000	1	107.7450	0.000	1	107.9780	1.182	4	109.5606	3.607	9	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OSi)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(O){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]O)	106.5450	0.000	1	106.5450	0.000	1	107.9780	1.182	4	109.5606	3.607	9	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:1:	4:	C[5,6,6]-4:C[6,6]-3:O-2:H-1:	C[3,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[3,6,6]O)(OH)(H)	C[6,6](C[3,6,6]C[3,5,6]2C)(C[6,6]C[5,6,6]HO)(O)	H(C[6,6]C[5,6,6]C[6,6]O)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[3,6,6]O)(OH)(H){1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[3,6,6]C[3,5,6]2C)(C[6,6]C[5,6,6]HO)(O){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[5,6,6]C[6,6]O)	109.8850	0.000	1	109.8850	0.000	1	109.8850	0.000	1	109.5606	3.607	9	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(O)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(O){1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2O[6])	112.4570	0.000	1	112.4570	0.000	1	110.9340	4.639	2	109.5606	3.607	9	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]H)(O)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]H)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2O[6])	109.4110	0.000	1	109.4110	0.000	1	110.9340	4.639	2	109.5606	3.607	9	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)2(O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]H)2(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	109.5606	3.607	9	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OC)(H){4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH){3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	109.5000	0.000	1	109.5000	0.000	1	108.6727	1.460	3	109.2006	0.891	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	109.2320	0.000	1	108.2590	1.893	2	108.6727	1.460	3	109.2006	0.891	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H){4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(CHH){3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]O)	107.2860	0.000	1	108.2590	1.893	2	108.6727	1.460	3	109.2006	0.891	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[5,3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H)	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(CHH)	H(C[6,6]C[5,3x6]C[6,6]O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[5,3x6]C[6,6]O)	108.1815	1.508	2	108.1815	2.275	2	108.1815	2.275	2	109.2006	0.891	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[5,5x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[3x6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H)	C[6,6](C[6,6]C[5,5x6]HO)(C[3x6]C[6,6]2H)(CHH)	H(C[6,6]C[5,5x6]C[6,6]O)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,5x6]HO)(C[3x6]C[6,6]2H)(CHH){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,5x6]C[6,6]O)	109.9390	0.000	2	109.9390	0.000	2	109.9390	0.000	2	109.2006	0.891	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.2170	0.000	1	109.5286	0.575	5	109.5286	0.575	5	109.2006	0.891	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.8565	0.222	4	109.5286	0.575	5	109.5286	0.575	5	109.2006	0.891	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2O[6])	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	109.2006	0.891	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	109.2006	0.891	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[6x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OC)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HO)(CHH)	H(C[6,6]C[6,6]C[6x6]O)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OC)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HO)(CHH){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6x6]O)	110.0420	0.263	2	110.0420	0.069	2	109.6527	0.489	3	109.2006	0.891	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[6x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HO)(CHH)	H(C[6,6]C[6,6]C[6x6]O)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HO)(CHH){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6x6]O)	108.8740	0.000	1	108.8740	0.000	1	109.6527	0.489	3	109.2006	0.891	17	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[4,6,6]-4:C[6,6]-3:N-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(NHS)(H)	C[6,6](C[6,6]C[4,6,6]HN)(C[6,6]C[4,6,6]C)(H)	H(C[6,6]C[4,6,6]C[6,6]N)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(NHS)(H){2|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]HN)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]N)	108.9870	0.000	1	108.9870	0.000	1	108.9870	0.000	1	108.9870	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	106.6813	0.105	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]Fe)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	H(C[6,6]C[5,6]C[6,6]2)	C[6,6](C[5,6]C[5,6]C[5]Fe)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|Fe<10>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]2)	106.3160	0.000	1	106.3160	0.000	1	106.3160	0.000	1	106.6813	0.105	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.9360	0.000	1	106.9360	0.000	1	106.9360	0.000	1	106.6813	0.105	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5105	0.589	2	107.5105	0.347	2	107.5105	0.347	2	107.2457	0.384	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]H)(H){1|N<3>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2N[6])	106.7160	0.000	1	106.7160	0.000	1	106.7160	0.000	1	107.2457	0.384	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O)(C[6]C[6]O)(H){3|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	109.2160	0.000	1	109.2160	0.000	1	108.9810	0.110	2	109.0443	0.067	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(O){1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	108.7460	0.000	1	108.7460	0.000	1	108.9810	0.110	2	109.0443	0.067	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6,6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)2(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)2(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1710	0.000	1	109.1710	0.000	1	109.1710	0.000	1	109.0443	0.067	3	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:2:	4:	C[6,6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6]H)(NO)	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6]H)(NO){1|N<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2N[6])	109.8150	0.000	1	109.8150	0.000	1	109.8150	0.000	1	109.8150	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:3:	4:	C[3x6]-4:C[6,6]-3:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHH)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHH){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.1820	0.133	2	108.1820	0.018	2	108.1820	0.018	2	107.9579	1.939	21	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]Fe)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]2)	C[6,6](C[5,6]C[5,6]C[5]Fe)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H){1|Fe<10>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]2)	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	107.9579	1.939	21	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0865	0.600	2	107.0865	0.360	2	107.0865	0.360	2	107.9579	1.939	21	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	108.2010	0.000	1	108.2010	0.000	1	106.0593	3.865	3	107.9579	1.939	21	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	104.9885	0.921	2	104.9885	0.849	2	106.0593	3.865	3	107.9579	1.939	21	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]C)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|N<3>}	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCH){3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.2261	0.325	8	109.2261	0.106	8	109.2261	0.106	8	107.9579	1.939	21	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.1470	0.366	5	107.1470	0.134	5	107.1470	0.134	5	107.9579	1.939	21	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:3:	4:	C[5,3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H)	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6])	H(C[6,6]C[5,3x6]C[6,6]C[6])	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>,7|C<4>}	H(C[6,6]C[5,3x6]C[6,6]C[6])	105.0770	0.000	1	105.0770	0.000	1	105.0770	0.000	1	106.5088	0.717	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1050	0.000	1	106.8921	0.418	8	106.7024	0.689	9	106.5088	0.717	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){1|B<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.5460	0.000	1	106.8921	0.418	8	106.7024	0.689	9	106.5088	0.717	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Cl<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0825	0.049	2	106.8921	0.418	8	106.7024	0.689	9	106.5088	0.717	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2190	0.000	1	106.8921	0.418	8	106.7024	0.689	9	106.5088	0.717	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.5330	0.000	1	106.8921	0.418	8	106.7024	0.689	9	106.5088	0.717	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.1160	0.000	1	106.8921	0.418	8	106.7024	0.689	9	106.5088	0.717	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.4530	0.000	1	106.8921	0.418	8	106.7024	0.689	9	106.5088	0.717	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]S)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]S){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.1850	0.000	1	105.1850	0.000	1	106.7024	0.689	9	106.5088	0.717	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7345	0.120	2	106.7345	0.014	2	106.7345	0.014	2	106.5088	0.717	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	3:4:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7460	0.000	1	105.7460	0.000	1	105.7460	0.000	1	106.5088	0.717	13	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:1:	4:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]C)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H){2|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	107.1665	0.916	2	107.1665	0.839	2	107.1665	0.839	2	107.1665	0.839	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:2:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(O[6]C[6])	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(O[6]C[6]){2|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	108.4970	0.000	1	108.4970	0.000	1	108.4970	0.000	1	108.4970	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	109.1420	0.000	1	109.1870	0.057	3	109.1870	0.057	3	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6])	109.2095	0.334	2	109.1870	0.057	3	109.1870	0.057	3	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6,6]O)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6,6]O){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.2580	1.090	2	106.2580	1.189	2	106.2580	1.189	2	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4225	0.218	2	107.7283	0.304	3	107.7283	0.304	3	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3400	0.000	1	107.7283	0.304	3	107.7283	0.304	3	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(C[6]O[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(C[6]O[6]H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2495	0.101	2	107.2495	0.010	2	107.1653	0.026	3	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9970	0.000	1	106.9970	0.000	1	107.1653	0.026	3	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]H){5|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2980	0.000	1	106.2980	0.000	1	106.7505	1.499	4	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7230	2.008	2	106.9013	2.112	3	106.7505	1.499	4	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2580	0.000	1	106.9013	2.112	3	106.7505	1.499	4	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.7360	0.000	1	107.7360	0.000	1	108.1333	0.682	3	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5810	0.000	1	107.5810	0.000	1	108.1333	0.682	3	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O[6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]N[6]O[6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	109.0830	0.000	1	109.0830	0.000	1	108.1333	0.682	3	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.4450	0.000	1	106.4450	0.000	1	106.5232	0.446	21	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3650	0.279	2	106.1211	0.581	9	106.5232	0.446	21	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.2240	0.000	1	106.1211	0.581	9	106.5232	0.446	21	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0900	1.030	5	106.1211	0.581	9	106.5232	0.446	21	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6860	0.000	1	106.1211	0.581	9	106.5232	0.446	21	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2390	0.000	1	106.6342	0.078	5	106.5232	0.446	21	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7330	0.198	4	106.6342	0.078	5	106.5232	0.446	21	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5490	0.000	1	106.5490	0.000	1	106.5232	0.446	21	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8750	0.000	1	107.0512	0.104	4	106.5232	0.446	21	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2320	0.000	1	107.0512	0.104	4	106.5232	0.446	21	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6960	0.000	1	107.0512	0.104	4	106.5232	0.446	21	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4020	0.000	1	107.0512	0.104	4	106.5232	0.446	21	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5280	0.000	1	107.5280	0.000	1	106.5232	0.446	21	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]H)(C[6]O[6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]H)(C[6]O[6]O){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1020	0.000	1	108.1020	0.000	1	107.8402	0.856	12	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.3260	0.000	1	109.3260	0.000	1	107.8402	0.856	12	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]O[6]C)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]O[6]C){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8490	0.000	1	108.8490	0.000	1	107.8402	0.856	12	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2260	0.000	1	106.2260	0.000	1	107.8402	0.856	12	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5500	0.000	1	108.5500	0.000	1	107.8402	0.856	12	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]H)(C[6]O[6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]H)(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2920	0.000	1	107.2920	0.000	1	107.8402	0.856	12	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3040	0.000	1	107.2053	0.111	4	107.8402	0.856	12	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1723	0.400	3	107.2053	0.111	4	107.8402	0.856	12	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5010	0.000	1	108.5010	0.000	1	107.8402	0.856	12	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]S[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]S[6]HH)(H){1|C<4>,1|H<1>,3|C<2>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4150	0.000	1	108.4150	0.000	1	107.8402	0.856	12	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:N[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)(H){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1360	0.000	1	106.1360	0.000	1	106.1360	0.000	1	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:3:	4:	P[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H)	C[6,6](C[6,6]C[6]P[6]H)(C[6]C[6]C)(C[6]O[6]C)	H(C[6,6]C[6,6]C[6]P[6])	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6,6](C[6,6]C[6]P[6]H)(C[6]C[6]C)(C[6]O[6]C){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]P[6])	108.8980	0.000	1	108.8980	0.000	1	108.8980	0.000	1	107.2125	1.204	53	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	H(C[6,6]C[4x6]C[6,6]C[6])	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[4x6]C[6,6]C[6])	106.4000	0.000	1	106.4000	0.000	1	106.4000	0.000	1	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH){2|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.2740	0.000	1	106.2740	0.000	1	107.3349	0.708	7	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7040	0.000	1	106.7040	0.000	1	107.3349	0.708	7	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.9950	0.000	1	107.9950	0.000	1	107.3349	0.708	7	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.4340	0.000	1	107.4340	0.000	1	107.3349	0.708	7	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9320	0.000	1	106.9320	0.000	1	107.3349	0.708	7	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){1|O<2>,2|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7860	0.000	1	108.0025	1.228	2	107.3349	0.708	7	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){3|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.2190	0.000	1	108.0025	1.228	2	107.3349	0.708	7	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]B[5])(C[6]C[6]HH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|B<3>,1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]B[5])(C[6]C[6]HH){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.2970	0.000	1	106.2970	0.000	1	106.2970	0.000	1	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8390	0.000	1	105.8390	0.000	1	105.8390	0.000	1	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,9|H<1>}	H(C[6,6]C[6,6]2C[6])	107.8940	0.000	1	107.8940	0.000	1	106.2163	1.350	6	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH){2|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5097	0.368	3	105.4875	0.092	4	106.2163	1.350	6	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH){3|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.4210	0.000	1	105.4875	0.092	4	106.2163	1.350	6	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.4540	0.000	1	107.4540	0.000	1	106.2163	1.350	6	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9800	0.000	1	106.9800	0.000	1	106.9800	0.000	1	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:N[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H){1|N<4>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2N[6])	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1280	0.000	1	106.1280	0.000	1	106.0956	1.026	5	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9290	0.000	1	104.9290	0.000	1	106.0956	1.026	5	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]Br)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]Br)(C[6]C[6]HH){3|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6680	0.000	1	107.6680	0.000	1	106.0956	1.026	5	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5830	0.000	1	105.5830	0.000	1	106.0956	1.026	5	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]P[5])(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]P[5])(C[6]C[6]HH){1|B<4>,1|C<4>,5|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1700	0.000	1	106.1700	0.000	1	106.0956	1.026	5	106.6556	1.146	23	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]C)	108.1400	0.000	1	108.1785	0.003	2	108.1785	0.003	2	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CH)(O){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]C)	108.2170	0.000	1	108.1785	0.003	2	108.1785	0.003	2	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[4x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(H)	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]CH)(O)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.4930	0.000	1	108.4930	0.000	1	108.4930	0.000	1	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]O)(C[6]C[6]2H)(H)	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]C[6]H)(O)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]O)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	105.3190	0.000	1	105.3190	0.000	1	105.3190	0.000	1	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHHN)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHHN)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	106.5240	0.000	1	106.5240	0.000	1	106.5240	0.000	1	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(O)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	109.5730	0.000	1	109.5730	0.000	1	109.5730	0.000	1	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)2(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)2(O){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.6290	0.033	2	109.6290	0.001	2	109.3723	0.202	12	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8005	0.176	4	108.8005	0.031	4	109.3723	0.202	12	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)2(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)2(O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.4915	0.210	2	109.4915	0.044	2	109.3723	0.202	12	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)2(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)2(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.7460	0.000	1	109.7460	0.000	1	109.3723	0.202	12	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)2(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)2(O){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.8170	0.045	2	109.8170	0.002	2	109.3723	0.202	12	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[6a]C[5])(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.6450	0.000	1	109.6450	0.000	1	109.3723	0.202	12	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]N[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]H)(C[6]N[6,6]HH)(H){1|Pd<5>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)2(H){2|C<4>,2|N<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	110.2680	2.301	2	110.2680	5.294	2	110.2680	5.294	2	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0170	0.110	4	109.0170	0.012	4	108.6528	2.017	53	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8680	0.000	1	107.8680	0.000	1	108.6528	2.017	53	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(O){1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.8320	0.000	1	107.8320	0.000	1	108.6528	2.017	53	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(O){3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5840	0.000	1	108.5840	0.000	1	108.6528	2.017	53	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2H)2(O){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7270	0.000	1	106.2437	22.826	4	108.6528	2.017	53	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2300	0.000	1	106.2437	22.826	4	108.6528	2.017	53	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0088	6.955	2	106.2437	22.826	4	108.6528	2.017	53	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4693	0.060	3	108.4693	0.004	3	108.6528	2.017	53	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)2(O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7455	0.089	28	108.7343	0.012	33	108.6528	2.017	53	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)2(O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6718	0.182	5	108.7343	0.012	33	108.6528	2.017	53	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]2H)2(O){2|C<3>,2|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.8240	0.006	2	109.9383	0.145	6	108.6528	2.017	53	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(O){2|C<3>,2|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	110.1360	0.263	2	109.9383	0.145	6	108.6528	2.017	53	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)2(O){2|C<3>,2|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.8550	0.734	2	109.9383	0.145	6	108.6528	2.017	53	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	N[3x6]-4:C[6,6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H){1|C<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	113.4290	0.000	1	113.4290	0.000	1	113.4290	0.000	1	108.8013	2.219	74	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:2:	4:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CHHO)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(NO)	H(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CHHO)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(NO){1|C<3>,1|N<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	108.7757	0.276	7	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:2:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]N)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6]H)(NO)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6,6]N)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|N<3>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6]H)(NO){1|N<3>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	109.6800	0.000	1	109.6800	0.000	1	109.6800	0.000	1	108.7757	0.276	7	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(NN[5])	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)2(NN[5]){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0590	0.000	1	108.0590	0.000	1	108.5842	0.162	5	108.7757	0.276	7	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(NN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]N)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)2(NN){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7155	0.319	4	108.7155	0.101	4	108.5842	0.162	5	108.7757	0.276	7	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[3,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)	H(C[6,6]C[3,6,6]C[6,6]C[6])	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[3,6,6]C[6,6]C[6])	106.7710	0.000	1	106.7710	0.000	1	106.7710	0.000	1	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.5030	0.000	1	106.5030	0.000	1	106.5030	0.000	1	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)	H(C[6,6]C[4x6]C[6,6]C[6])	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|O<2>,4|C<4>,9|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H){1|O<2>,3|H<1>,7|C<4>}	H(C[6,6]C[4x6]C[6,6]C[6])	107.0500	0.000	1	107.0500	0.000	1	107.0500	0.000	1	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.4720	0.000	1	106.4720	0.000	1	106.4720	0.000	1	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]2)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H){2|H<1>,3|C<4>,5|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8900	0.188	2	108.8900	0.035	2	108.8900	0.035	2	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7020	0.000	1	108.4460	0.204	4	107.1879	2.628	7	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8350	0.000	1	108.4460	0.204	4	107.1879	2.628	7	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){5|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3900	0.000	1	108.4460	0.204	4	107.1879	2.628	7	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){3|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8570	0.000	1	108.4460	0.204	4	107.1879	2.628	7	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.7310	0.303	2	105.7310	0.092	2	107.1879	2.628	7	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]C)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]C){1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.0690	0.000	1	105.0690	0.000	1	107.1879	2.628	7	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0280	0.000	1	107.3625	0.224	2	107.1323	0.271	3	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.6970	0.000	1	107.3625	0.224	2	107.1323	0.271	3	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6720	0.000	1	106.6720	0.000	1	107.1323	0.271	3	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCCO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCCO)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C)	106.1395	0.223	2	106.1395	0.050	2	106.4670	0.194	4	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCHO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCHO)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C)	107.0220	0.000	1	107.0220	0.000	1	106.4670	0.194	4	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH)	H(C[6,6]C[6,6]2C)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C)	106.5670	0.000	1	106.5670	0.000	1	106.4670	0.194	4	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]C)(C[6]C[6]HO)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]C[6]H)(CHH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]C)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]C[6]H)(CHH){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9880	0.000	1	106.9880	0.000	1	106.9880	0.000	1	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1180	0.126	2	106.1180	0.016	2	106.1180	0.016	2	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<2>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2010	0.000	1	105.5935	0.738	2	105.7506	0.476	25	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9860	0.000	1	105.5935	0.738	2	105.7506	0.476	25	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1320	0.000	1	105.6119	0.493	13	105.7506	0.476	25	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8180	0.000	1	105.6119	0.493	13	105.7506	0.476	25	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6368	0.708	11	105.6119	0.493	13	105.7506	0.476	25	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.4980	0.000	1	105.5905	0.017	2	105.7506	0.476	25	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6830	0.000	1	105.5905	0.017	2	105.7506	0.476	25	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8330	0.078	2	105.5912	0.188	5	105.7506	0.476	25	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7325	0.049	2	105.5912	0.188	5	105.7506	0.476	25	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8250	0.000	1	105.5912	0.188	5	105.7506	0.476	25	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){4|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8290	0.127	3	106.8290	0.016	3	105.7506	0.476	25	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]2)(C[6]C[6]HO)(H){2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2){2|O<1>,2|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H){2|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8300	0.000	1	106.8300	0.000	1	106.4013	0.334	10	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.8165	0.052	2	105.8165	0.003	2	106.4013	0.334	10	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]H){5|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8690	0.124	2	105.8690	0.015	2	106.4013	0.334	10	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.7500	0.000	1	106.7553	0.019	3	106.4013	0.334	10	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	H(C[6,6]C[6,6]2C[6])	106.6210	0.000	1	106.7553	0.019	3	106.4013	0.334	10	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	106.8950	0.000	1	106.7553	0.019	3	106.4013	0.334	10	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6,6]H){2|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1170	0.000	1	106.1170	0.000	1	106.4013	0.334	10	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	107.4290	0.000	1	107.4290	0.000	1	106.4013	0.334	10	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.2880	0.000	1	105.2880	0.000	1	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	104.2930	0.000	1	105.2390	1.790	2	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1850	0.000	1	105.2390	1.790	2	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9970	0.000	1	106.8233	0.099	14	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8043	0.290	11	106.8233	0.099	14	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2950	0.000	1	106.8233	0.099	14	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3870	0.000	1	106.8233	0.099	14	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	106.3790	0.000	1	106.2228	0.409	21	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	105.4510	0.000	1	106.2228	0.409	21	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9460	0.000	1	106.2228	0.409	21	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1080	0.000	1	106.2228	0.409	21	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.7950	0.000	1	106.2228	0.409	21	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.6580	0.000	1	106.2228	0.409	21	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	106.1920	0.000	1	106.2228	0.409	21	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5797	0.754	7	106.2228	0.409	21	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	106.0131	0.513	7	106.2228	0.409	21	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.4300	0.174	4	106.4300	0.030	4	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9900	0.000	1	105.9535	0.003	2	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.9170	0.000	1	105.9535	0.003	2	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1163	0.982	15	107.0189	1.051	16	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	105.5590	0.000	1	107.0189	1.051	16	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	109.7180	0.000	1	109.7180	0.000	1	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	106.8800	0.000	1	106.8800	0.000	1	106.5887	0.816	62	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)2(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)2(CCH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4995	0.059	2	108.4995	0.003	2	108.4995	0.003	2	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]2)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[5])(C[6]N[6]HH)(H){2|H<1>,3|C<4>,5|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3685	0.001	2	108.3685	0.000	2	108.3685	0.000	2	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9860	0.000	1	104.9860	0.000	1	107.2240	1.218	8	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9370	0.000	1	107.9370	0.000	1	107.2240	1.218	8	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]P)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]P){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9310	0.000	1	106.9310	0.000	1	107.2240	1.218	8	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2600	0.004	2	108.2600	0.000	2	107.2240	1.218	8	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8110	0.334	2	106.8110	0.111	2	107.2240	1.218	8	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7960	0.000	1	107.7960	0.000	1	107.2240	1.218	8	106.5993	1.084	133	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	103.7970	0.000	1	103.7970	0.000	1	103.7970	0.000	1	104.8435	2.190	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.8900	0.000	1	105.8900	0.000	1	105.8900	0.000	1	104.8435	2.190	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H)	C[6,6](C[6]C[5,6,6]O)(C[6,6]C[6]2H)(C[6]C[5a,6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5,6,6]HH)(C[6]C[5a,6]HN)(C[6,6]C[6]2)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6,6](C[6]C[5,6,6]O)(C[6,6]C[6]2H)(C[6]C[5a,6]O){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6950	0.000	1	105.6950	0.000	1	105.6950	0.000	1	105.6950	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	3:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6]2H)(C[6]C[6]HH)	H(C[6,6]C[5,6]2C[6,6])	C[6,6](C[5,6]C[5,6]C[5]H)2(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	H(C[6,6]C[5,6]2C[6,6])	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:2:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]C[6])	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]C[6]){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0025	0.037	2	107.0025	0.001	2	107.0025	0.001	2	107.0025	0.001	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H){2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	107.4500	1.364	3	107.4500	1.860	3	107.4500	1.860	3	107.9918	1.151	10	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8610	0.000	1	107.8610	0.000	1	107.8610	0.000	1	107.9918	1.151	10	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	107.9918	1.151	10	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.2660	0.297	2	107.2660	0.088	2	108.4294	1.150	5	107.9918	1.151	10	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	109.2050	0.000	3	109.2050	0.000	3	108.4294	1.150	5	107.9918	1.151	10	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6a]C[6])(C[6]C[5,6]HH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6a]C[6])(C[6]C[5,6]HH){2|C<4>,4|C<3>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9040	0.000	1	106.9040	0.000	1	106.9040	0.000	1	106.9040	0.000	1	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]O)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)2(O){2|N<3>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5392	0.222	4	109.5392	0.049	4	109.5392	0.049	4	109.5392	0.049	4	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:2:	4:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]N)(H)	C[6,6](C[6,6]C[6]2H)2(NO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)2(C[6,6]C[6,6]N)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)2(NO){2|N<3>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7465	0.325	2	109.7465	0.105	2	109.7465	0.105	2	109.7465	0.105	2	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]2H)(C[6]C[5,6,6]HH)(C[6]C[6]H)	H(C[6,6]C[5,6]2C[6,6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[5,6]O[5,6]C[5]H)(C[6,6]C[6]2)(H){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]2H)(C[6]C[5,6,6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[5,6]2C[6,6])	106.1350	0.000	1	106.1350	0.000	1	106.1350	0.000	1	106.8641	1.296	18	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2620	0.000	1	106.7135	1.135	4	107.0092	1.432	15	106.8641	1.296	18	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.1973	0.323	3	106.7135	1.135	4	107.0092	1.432	15	106.8641	1.296	18	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.5275	0.438	2	106.4980	2.921	3	107.0092	1.432	15	106.8641	1.296	18	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4390	0.000	1	106.4980	2.921	3	107.0092	1.432	15	106.8641	1.296	18	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.4200	0.000	1	106.4200	0.000	1	107.0092	1.432	15	106.8641	1.296	18	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1674	0.482	5	107.6168	1.398	6	107.0092	1.432	15	106.8641	1.296	18	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.8640	0.000	1	107.6168	1.398	6	107.0092	1.432	15	106.8641	1.296	18	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.6690	0.000	1	106.6690	0.000	1	107.0092	1.432	15	106.8641	1.296	18	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]H){1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.1400	0.305	2	106.1400	0.093	2	106.1400	0.093	2	106.8641	1.296	18	108.1252	2.860	1014	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	2:3:4:1:	4:3:3:	4:	O[6,6]-2:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:N-3:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){2|H<1>,5|C<4>}	H(C[6,6]O[6,6]C[6]2)	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	2:3:4:1:	4:4:2:	4:	O[6,6]-2:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]O[6,6]C[6]H)(NN)	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6,6]N)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]O[6,6]C[6]H)(NN){4|C<4>,5|H<1>}	H(C[6,6]O[6,6]C[6]2)	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:2:3:1:	4:3:1:	4:	N[6]-3:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](N[6]C[6,6a]H)(O[6,6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6,6]O[6,6]N[6]H)(C[6]C[6,6]H)(H)	H(C[6,6]O[6,6]C[6]N[6])	C[6,6](N[6]C[6,6a]H)(O[6,6]C[3x6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]O[6,6]N[6]H)(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]O[6,6]C[6]N[6])	108.8430	0.000	1	108.8430	0.000	1	108.8430	0.000	1	108.8430	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:O[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]O[6,6]C[6])	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	108.5901	1.029	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:2:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:Br-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(Br)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(Br){1|C<4>,3|C<3>}	H(C[6,6]N[6,6]C[6]O[6])	108.6140	0.000	1	108.6140	0.000	1	108.6140	0.000	1	108.5901	1.029	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:2:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H){1|C<4>,3|C<3>}	H(C[6,6]N[6,6]C[6]O[6])	108.6300	0.000	1	108.6300	0.000	1	109.3223	1.078	3	108.5901	1.029	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:2:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H){1|C<4>,3|C<3>}	H(C[6,6]N[6,6]C[6]O[6])	110.5160	0.000	1	109.6685	1.437	2	109.3223	1.078	3	108.5901	1.029	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:2:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(H){1|C<4>,3|C<3>}	H(C[6,6]N[6,6]C[6]O[6])	108.8210	0.000	1	109.6685	1.437	2	109.3223	1.078	3	108.5901	1.029	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:2:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:S[6]-2:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]N[6]O)(S[6]C[6])(H)	C[6](C[6,6]N[6,6]S[6]H)(N[6]C[6]C)(O)	H(C[6,6]N[6,6]C[6]S[6])	C[6,6](N[6,6]C[6]2)(C[6]N[6]O)(S[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]S[6]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]N[6,6]C[6]S[6])	107.6543	0.483	3	107.6543	0.233	3	107.6543	0.233	3	108.5901	1.029	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:2:1:	4:3:4:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]H)(CCHH)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H){3|C<4>,6|H<1>}	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]H)(CCHH){2|H<1>,3|C<4>}	H(C[6,6]N[6,6]C[6]O[6])	108.7355	0.312	2	108.7355	0.097	2	108.7355	0.097	2	108.7355	0.097	2	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:2:3:	4:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-2:C-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]H)(N[6]C[6a]N[6])(C[6]N[6]C)(H)	C[6](C[6,6]N[6,6]N[6]H)(N[6]N[6])(CC[6a]O)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]H)(N[6]C[6a]N[6])(C[6]N[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]N[6,6]N[6]H)(N[6]N[6])(CC[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6,6]N[6,6]C[6]N[6])	109.7680	0.192	6	109.7680	0.037	6	109.7680	0.037	6	109.7680	0.037	6	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6]-3:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]O)(C[6]C[6]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]O)(C[6]C[6]H)2(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	113.1710	0.856	2	113.1710	0.732	2	113.1710	0.732	2	109.8464	6.947	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]H)(O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.2550	0.000	1	106.2550	0.000	1	106.2550	0.000	1	109.8464	6.947	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H)	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]N[5,6]N[6,6]C[6])	109.4040	0.000	1	109.4040	0.000	1	108.0400	3.721	2	109.8464	6.947	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H)	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H){2|H<1>,2|O<1>,6|C<3>}	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6,6]N[5,6]N[6,6]C[6])	106.6760	0.000	1	106.6760	0.000	1	108.0400	3.721	2	109.8464	6.947	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]H)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]H)(H){1|N<3>,4|C<3>}	H(C[6,6]N[6,6]C[6]2)	110.0313	1.127	3	110.0313	1.270	3	110.0313	1.270	3	109.8464	6.947	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:3:2:	4:	N[6]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-2:	C[6,6]-4:	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]H)(CN)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]H)(CN){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6]O[6]C)(COO)	H(C[6,6]C[6,6,6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H){1|O<2>,7|C<3>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6]O[6]C)(COO){4|C<3>}	H(C[6,6]C[6,6,6a]C[6]N[6])	106.8260	0.000	1	106.8260	0.000	1	106.8260	0.000	1	108.1992	2.144	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(COO)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.4105	0.301	2	107.4105	0.090	2	107.6510	0.219	3	108.1992	2.144	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6]C)(COO)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.1320	0.000	1	108.1320	0.000	1	107.6510	0.219	3	108.1992	2.144	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[6,6]-3:C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH){2|H<1>,3|C<3>}	H(C[6,6]N[6,6]C[6]2)	106.6630	1.646	3	106.6630	2.708	3	106.6630	2.708	3	108.1992	2.144	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]N[6,6]C[6]N[6])	109.0560	0.000	1	109.0560	0.000	1	109.4305	0.094	4	108.1992	2.144	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]N[6,6]C[6]N[6])	109.3270	0.000	1	109.3270	0.000	1	109.4305	0.094	4	108.1992	2.144	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]N[6,6]C[6]N[6])	109.6695	0.125	2	109.6695	0.016	2	109.4305	0.094	4	108.1992	2.144	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]O)(COO)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]N[6,6]C[6]N[6])	109.5500	0.126	2	109.5500	0.016	2	109.5500	0.016	2	108.1992	2.144	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]C[6]H)(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]C[6]H)(O){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.0660	0.000	1	108.0660	0.000	1	108.0660	0.000	1	108.0660	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9020	0.000	1	108.9020	0.000	1	108.9020	0.000	1	108.9020	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H){6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.6030	0.000	1	108.6670	0.008	2	108.6670	0.008	2	107.7753	0.527	6	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]H)(C[6]C[6]HO)(H){6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.7310	0.000	1	108.6670	0.008	2	108.6670	0.008	2	107.7753	0.527	6	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:O-1:	C[6,6]-4:	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.6430	0.000	1	107.5160	0.032	2	107.3295	0.081	4	107.7753	0.527	6	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:O-1:	C[6,6]-4:	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.3890	0.000	1	107.5160	0.032	2	107.3295	0.081	4	107.7753	0.527	6	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:O-1:	C[6,6]-4:	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.1430	0.266	2	107.1430	0.071	2	107.3295	0.081	4	107.7753	0.527	6	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7710	0.014	2	109.7710	0.000	2	109.7710	0.000	2	108.3721	1.364	7	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]S[6])(C[6a]C[6a]2)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|S<1>,1|S<2>,3|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]S[6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	H(C[6,6]N[6,6]C[6]2)	106.6300	0.000	1	106.6300	0.000	1	106.6300	0.000	1	108.3721	1.364	7	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]N)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]N){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.6675	0.285	2	107.6675	0.081	2	107.6675	0.081	2	108.3721	1.364	7	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:4:1:	4:3:3:	4:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:N-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]N[6,6]C[6]2)	108.3250	0.000	1	108.3250	0.000	1	108.5490	0.100	2	108.3721	1.364	7	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:3:4:1:	4:3:3:	4:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:N-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]N)(C[6]C[5,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]N)(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){1|N<3>,2|H<1>,5|C<4>}	H(C[6,6]N[6,6]C[6]2)	108.7730	0.000	1	108.7730	0.000	1	108.5490	0.100	2	108.3721	1.364	7	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6,6a]O)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6]2C[6])	101.4850	0.000	1	101.4850	0.000	1	103.0945	5.181	2	103.0945	5.181	2	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O){1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6]2C[6])	104.7040	0.000	1	104.7040	0.000	1	103.0945	5.181	2	103.0945	5.181	2	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:2:1:	4:	C[5a,6]-3:C[3x6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)(C[6]O[6]O)(H)	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(O)	H(C[6,6]C[5a,6]C[3x6]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)(C[6]O[6]O)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5a,6]C[3x6]C[6])	107.3720	0.000	1	107.3720	0.000	1	107.3720	0.000	1	108.6128	0.941	6	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:2:1:	4:	C[5a,6]-3:C[5,6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(O[6]C[6])(O)	H(C[6,6]C[5,6,6]C[5a,6]C[6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[5a,6]H)(O[6]C[6])(O){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[5a,6]C[6])	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	108.6128	0.941	6	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:2:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]O[6]O)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(O){1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7595	0.316	2	109.7595	0.100	2	109.7595	0.100	2	108.6128	0.941	6	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:2:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]O[6]O)(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3645	0.046	2	108.3645	0.002	2	108.3645	0.002	2	108.6128	0.941	6	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.9345	0.325	2	106.9345	0.105	2	106.9345	0.105	2	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]HO)(C[6]C[6,6]H)(H){6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4040	0.000	1	108.4040	0.000	1	107.5652	0.713	5	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1810	0.000	1	106.1810	0.000	1	107.5652	0.713	5	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0050	0.000	1	108.0050	0.000	1	107.5652	0.713	5	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6])(C[6]C[5,6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7480	0.000	1	107.7480	0.000	1	107.5652	0.713	5	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4880	0.000	1	107.4880	0.000	1	107.5652	0.713	5	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|O<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.5250	0.000	1	108.5250	0.000	1	109.4463	0.639	3	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.9070	0.065	2	109.9070	0.004	2	109.4463	0.639	3	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	107.9995	0.081	2	107.9995	0.007	2	107.9995	0.007	2	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4010	0.618	2	108.4010	0.382	2	108.4010	0.382	2	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3562	0.265	6	109.3562	0.070	6	108.6864	0.827	11	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.6620	0.000	1	107.8826	0.500	5	108.6864	0.827	11	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.6877	0.643	4	107.8826	0.500	5	108.6864	0.827	11	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:Br-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(Br)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(Br){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.9160	0.000	1	106.9160	0.000	1	106.9160	0.000	1	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6527	0.690	3	106.6527	0.476	3	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]H)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.8030	0.000	1	109.8030	0.000	1	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.9050	0.000	1	106.9050	0.000	1	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.8510	0.000	1	107.8510	0.000	1	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.3300	0.651	3	107.3300	0.424	3	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.1240	0.000	1	107.8525	1.766	8	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.7810	0.000	1	107.8525	1.766	8	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.0575	3.170	2	107.8525	1.766	8	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.8460	0.819	2	107.8525	1.766	8	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3610	0.000	1	107.8525	1.766	8	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.7470	0.000	1	107.8525	1.766	8	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.2470	0.000	1	107.6555	0.700	2	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.0640	0.000	1	107.6555	0.700	2	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4190	0.000	1	108.4190	0.000	1	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.8990	0.000	1	109.8990	0.000	1	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.1940	0.000	1	106.1940	0.000	1	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.9240	0.000	1	107.9240	0.000	1	107.6989	1.432	23	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H){4|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.5350	0.000	1	106.5350	0.000	1	106.5350	0.000	1	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]H)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]H)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.3250	0.000	1	109.3250	0.000	1	109.2943	0.728	4	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.8430	0.000	1	108.8430	0.000	1	109.2943	0.728	4	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.5320	0.000	1	108.5320	0.000	1	109.2943	0.728	4	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]N[6,6]C)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]N[6,6]C)(C[6]O[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	110.4770	0.000	1	110.4770	0.000	1	109.2943	0.728	4	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.1460	0.000	1	106.1460	0.000	1	107.2183	0.471	22	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.1230	0.943	2	106.9870	0.527	5	107.2183	0.471	22	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.8963	0.761	3	106.9870	0.527	5	107.2183	0.471	22	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.3216	0.429	12	107.3216	0.184	12	107.2183	0.471	22	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]S[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]S[6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.4655	1.149	4	107.4655	1.320	4	107.2183	0.471	22	107.8271	1.239	78	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){2|O<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	109.0486	0.098	5	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:N-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NO)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NO){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.1688	0.184	4	109.1688	0.034	4	109.1688	0.034	4	109.0486	0.098	5	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3060	0.000	1	107.3060	0.000	1	106.1564	1.829	5	107.7004	3.794	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9260	0.175	2	104.9260	0.031	2	106.1564	1.829	5	107.7004	3.794	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHH){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.7930	0.000	1	105.7930	0.000	1	106.1564	1.829	5	107.7004	3.794	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8310	0.000	1	107.8310	0.000	1	106.1564	1.829	5	107.7004	3.794	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:N-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NC[6a]Ir)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NC[6a]Ir){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.5050	0.000	1	109.5050	0.000	1	109.4257	0.604	3	107.7004	3.794	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:N-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NC[6a]Pd)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NC[6a]Pd){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	110.1600	0.000	1	110.1600	0.000	1	109.4257	0.604	3	107.7004	3.794	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:N-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NPdO)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NPdO){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.6120	0.000	1	108.6120	0.000	1	109.4257	0.604	3	107.7004	3.794	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(CCO)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(CCO){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	107.7004	3.794	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(NCC)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H){1|B<3>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(NCC){2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	107.7004	3.794	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9040	0.000	1	108.9040	0.000	1	107.8637	0.814	3	109.0989	1.189	11	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3435	0.070	2	107.3435	0.005	2	107.8637	0.814	3	109.0989	1.189	11	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]N[6])(CH3)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]N[6])(CH3){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	109.0989	1.189	11	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:S-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[3,6]H)(SC[6a]OO)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[3,6]H)(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	110.6420	0.000	1	110.6420	0.000	1	109.8114	0.301	5	109.0989	1.189	11	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:S-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6038	0.337	4	109.6038	0.114	4	109.8114	0.301	5	109.0989	1.189	11	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:Si-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(SiC3)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(SiC3){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.5945	0.332	2	108.5945	0.110	2	108.5945	0.110	2	109.0989	1.189	11	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[5a,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:O-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<2>,1|N<3>,1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	106.8754	24.301	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]O)(H){1|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1380	0.000	1	109.1380	0.000	1	109.3385	0.080	2	106.8754	24.301	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O){1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5390	0.000	1	109.5390	0.000	1	109.3385	0.080	2	106.8754	24.301	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	94.8982	0.000	1	94.8982	0.000	1	94.8982	0.000	1	106.8754	24.301	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6700	0.000	1	109.6700	0.000	1	109.3635	0.188	2	106.8754	24.301	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.0570	0.000	1	109.0570	0.000	1	109.3635	0.188	2	106.8754	24.301	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:4:1:	4:	N[5,6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]N[5,6,6]C[6]2)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|S<2>,4|C<4>,4|H<1>}	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(O){3|H<1>,4|C<4>}	H(C[6,6]N[5,6,6]C[6]2)	107.2980	0.000	2	107.2980	0.000	2	107.2980	0.000	2	106.8754	24.301	8	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]F)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]F){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7973	0.163	4	108.7973	0.027	4	108.6164	0.184	5	108.6164	0.184	5	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]N)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]N){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8930	0.000	1	107.8930	0.000	1	108.6164	0.184	5	108.6164	0.184	5	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2){4|H<1>,5|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:2:3:1:	4:2:3:	4:	C[6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:N[6]-2:N-3:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H)	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO)	H(C[6,6]O[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO){1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]O[6,6]C[6]2)	109.3373	0.069	3	109.3770	0.006	5	109.3770	0.006	5	109.3770	0.006	5	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:2:3:1:	4:2:3:	4:	C[6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:N[6]-2:N-3:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H)	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO)	H(C[6,6]O[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H){1|O<2>,3|C<3>}	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO){1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]O[6,6]C[6]2)	109.4365	0.060	2	109.3770	0.006	5	109.3770	0.006	5	109.3770	0.006	5	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[6,6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]O[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]O[6,6]C[6])	108.2445	0.037	2	108.2445	0.001	2	108.2445	0.001	2	108.2017	0.636	16	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[6,6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(O[6,6]C[6,6])(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(O)	H(C[6,6]C[6,6]O[6,6]C[6])	C[6,6](C[6,6]C[6,6]O[6]H)(O[6,6]C[6,6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]O[6,6]C[6])	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	108.2017	0.636	16	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|N<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.2360	0.000	1	108.3969	0.142	9	108.1858	0.792	13	108.2017	0.636	16	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.1600	0.000	1	108.3969	0.142	9	108.1858	0.792	13	108.2017	0.636	16	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.3109	0.282	7	108.3969	0.142	9	108.1858	0.792	13	108.2017	0.636	16	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.6540	0.000	1	108.6540	0.000	1	108.1858	0.792	13	108.2017	0.636	16	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	106.4065	0.066	2	106.4065	0.004	2	108.1858	0.792	13	108.2017	0.636	16	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3760	0.000	1	109.3760	0.000	1	108.1858	0.792	13	108.2017	0.636	16	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]H)(S[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]H)(S[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]S[6])	96.0063	4.728	2	96.0063	22.353	2	96.0063	22.353	2	96.0063	22.353	2	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	105.1060	0.000	1	105.1060	0.000	1	105.1060	0.000	1	105.1060	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:Br-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]Br)(O[6]C[6])(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(Br)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]Br)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(Br){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(H)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(H){1|C<3>,1|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	106.2460	0.000	1	106.2460	0.000	1	108.4283	3.584	3	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|Br<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	109.6310	0.000	1	109.5195	0.025	2	108.4283	3.584	3	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6,6]C[5,6,6]C[6]O[6])	109.4080	0.000	1	109.5195	0.025	2	108.4283	3.584	3	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	110.4130	0.000	1	110.4130	0.000	1	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.2720	0.000	1	108.2720	0.000	1	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.1430	0.000	1	109.1430	0.000	1	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.6350	0.000	1	108.6350	0.000	1	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.9680	0.000	1	109.0337	0.319	10	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.5470	0.000	1	109.0337	0.319	10	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8480	0.000	1	109.0337	0.319	10	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.6970	0.000	1	109.0337	0.319	10	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4855	0.465	2	109.0337	0.319	10	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.0400	0.000	1	109.0337	0.319	10	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.6280	0.000	1	109.0337	0.319	10	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.8980	0.000	1	109.0337	0.319	10	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7400	0.000	1	109.0337	0.319	10	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]Si[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]Si[6])(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|Si<4>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1290	0.000	1	109.1290	0.000	1	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6]C[6]H)(O[6]N[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6]C[6]H)(O[6]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,2|N<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1310	0.000	1	109.1310	0.000	1	109.0662	0.368	16	108.8879	0.843	20	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:2:1:	4:4:2:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N)(O[6]C[6])(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(NO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[3x6]-4:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(H){1|C<4>,1|I<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1	108.0334	3.062	7	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]O)(C[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]O)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	109.1390	0.000	1	109.1390	0.000	1	109.1390	0.000	1	108.0334	3.062	7	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6,6a]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.4840	0.000	1	109.4840	0.000	1	107.5944	3.750	5	108.0334	3.062	7	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6,6a]O)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6,6a]O)2(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.1220	1.874	4	107.1220	3.512	4	107.5944	3.750	5	108.0334	3.062	7	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(CHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(CHO){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4400	0.000	1	108.4400	0.000	1	108.7700	0.084	3	108.7700	0.084	3	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9350	0.075	2	108.9350	0.006	2	108.7700	0.084	3	108.7700	0.084	3	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[5,6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(O[6]C[5,6,6])(O)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(O[6]C[5,6,6])(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.8110	0.000	1	106.8110	0.000	1	106.8110	0.000	1	106.8110	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:2:3:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-2:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CC[5a]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(C[6]N[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CC[5a]O){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.3460	0.000	1	109.3460	0.000	1	109.3460	0.000	1	109.3460	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.5200	0.000	1	106.5200	0.000	1	107.5270	0.865	4	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]H)(H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]H)(H){1|N<3>,5|C<3>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	107.2000	0.000	1	107.2000	0.000	1	107.5270	0.865	4	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]H)(H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]H)(H){1|N<3>,5|C<3>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	108.1940	0.764	2	108.1940	0.583	2	107.5270	0.865	4	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:Br-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(Br)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(Br){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	111.6115	2.043	2	111.6115	4.173	2	111.6115	4.173	2	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]I)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]I)(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	111.5720	1.969	2	111.5720	3.875	2	111.5720	3.875	2	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|N<3>}	H(C[6,6]C[5,6,6]C[6]2)	108.1000	0.000	1	108.1000	0.000	1	108.7117	0.344	3	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]O)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]O)2(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	109.0175	0.356	2	109.0175	0.127	2	108.7117	0.344	3	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]H)(H)	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(N[6,6]C[6]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[5,6]N[6,6]C[6])	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	107.4945	0.589	2	107.4945	0.347	2	110.0727	20.114	3	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6,6]C[6,6]2C[6])	115.2290	0.000	1	115.2290	0.000	1	110.0727	20.114	3	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6]C[6]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6]C[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	111.1663	1.148	9	111.1663	1.318	9	110.1431	3.195	14	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]2H)(C[6]C[6]H)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]2H)(C[6]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3545	0.040	2	107.3545	0.002	2	110.1431	3.195	14	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	109.4510	0.069	2	109.4510	0.005	2	110.1431	3.195	14	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H){1|B<3>,1|H<1>,1|N<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.8960	0.000	1	107.8960	0.000	1	110.1431	3.195	14	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]Cl)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]O)2(H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]Cl)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	107.5490	0.000	1	107.5490	0.000	1	108.8063	1.191	3	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.4350	0.106	2	109.4350	0.011	2	108.8063	1.191	3	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(C[6]N[6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CC)(C[6]N[6]O)2(H){2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	109.0070	0.000	1	109.0070	0.000	1	108.3180	0.486	13	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6a]C)(C[6]N[6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6a]C)(C[6]N[6]O)2(H){3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	108.8037	0.119	4	108.8037	0.014	4	108.3180	0.486	13	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	108.6405	0.079	4	108.6405	0.006	4	108.3180	0.486	13	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]O)2(H){2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	107.3375	0.175	4	107.3375	0.030	4	108.3180	0.486	13	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.1585	0.028	2	109.1585	0.001	2	108.4672	0.584	6	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]H)(N[6]C[6]S)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H){1|S<4>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.6600	0.202	2	108.6600	0.041	2	108.4672	0.584	6	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.2060	0.000	1	107.2060	0.000	1	108.4672	0.584	6	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]S)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]C)(H){1|S<4>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.9600	0.000	1	107.9600	0.000	1	108.4672	0.584	6	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.9077	0.221	3	108.8552	0.106	5	108.8552	0.106	5	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|O<2>,3|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.3860	0.000	1	108.8552	0.106	5	108.8552	0.106	5	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|O<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	109.1670	0.000	1	108.8552	0.106	5	108.8552	0.106	5	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]H)(H)	H(C[6,6]C[6,6]N[5,6]C[6])	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]N[5,6]C[6])	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]N)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]OO)(N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]N)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]N[6])	108.8950	0.000	1	108.8950	0.000	1	108.1352	0.339	4	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.8820	0.353	3	107.8820	0.124	3	108.1352	0.339	4	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.2373	0.315	8	109.2373	0.099	8	109.2373	0.099	8	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1900	0.000	1	109.1900	0.000	1	109.1900	0.000	1	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[6,6]-3:H-1:	C[6,6]-4:N[5,6]-3:O-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6]N[5,6]O)(N[6,6]C[6]2)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[5,6]C[5,6]C[5])(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6]N[5,6]O)(N[6,6]C[6]2)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[5,6]C[5,6]C[5])(O){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]C)(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]C)(N[6,6]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]N[6,6]C[6]2)	107.0050	0.000	1	107.0050	0.000	1	107.0050	0.000	1	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:N[5,6]-3:O-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(C[6]N[5,6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[5,6]C[5,6]C[5])(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(C[6]N[5,6]O)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.3820	0.000	1	107.3820	0.000	1	107.3820	0.000	1	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.5547	0.106	3	107.5547	0.011	3	107.0898	1.293	9	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[5]C[6])(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[5]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.1010	0.000	1	108.1010	0.000	1	107.0898	1.293	9	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	104.1910	0.000	1	104.1910	0.000	1	107.0898	1.293	9	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6,6]N[6,6]C[6]2)	107.2330	0.299	3	107.2130	0.061	4	107.0898	1.293	9	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6,6]N[6,6]C[6]2)	107.1530	0.000	1	107.2130	0.061	4	107.0898	1.293	9	108.8116	2.798	82	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(OC)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(OC){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.0390	0.403	2	107.0390	0.162	2	107.0390	0.162	2	107.5123	0.534	6	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC){1|Br<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.1220	0.000	1	107.1220	0.000	1	107.8200	0.888	3	107.5123	0.534	6	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(OC){1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.1690	1.022	2	108.1690	1.045	2	107.8200	0.888	3	107.5123	0.534	6	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]O)2(H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[6,6]C[6,6]C[6]2)	107.5360	0.000	1	107.5360	0.000	1	107.5360	0.000	1	107.5123	0.534	6	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(CHH)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(CHH){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	110.4945	0.313	8	110.4945	0.098	8	110.4945	0.098	8	109.7597	1.284	12	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]N[6])(C[6]C[6]N)(C[6]N[6]O)(H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	H(C[6,6]C[5,6,6]C[6]2)	108.0330	0.000	1	108.0330	0.000	1	108.0330	0.000	1	109.7597	1.284	12	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:B-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(BC[6a]2)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(BC[6a]2){3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8660	0.000	1	107.8660	0.000	1	107.8660	0.000	1	109.7597	1.284	12	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]C)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CNO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]C)2(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CNO){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.6440	0.000	1	108.6440	0.000	1	108.6305	0.000	2	109.7597	1.284	12	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]C)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]C)2(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(COO){1|C<4>,2|C<3>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.6170	0.000	1	108.6170	0.000	1	108.6305	0.000	2	109.7597	1.284	12	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[3x6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(CH3)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]C)(H){1|C<4>,1|I<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[6,6]C[3x6]C[6]2)	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	106.6123	4.889	3	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]O)(CC[5]HH)	H(C[6,6]C[6,6,6a]C[6,6]C[6])	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,6|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]O)(CC[5]HH){1|H<1>,1|O<1>,4|C<3>}	H(C[6,6]C[6,6,6a]C[6,6]C[6])	105.3650	0.666	2	105.3650	0.444	2	105.3650	0.444	2	106.6123	4.889	3	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(O)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	107.0320	0.000	1	107.0320	0.000	1	107.0320	0.000	1	108.9546	1.013	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]N[5,6]H)(C[6]C[5,6]HH)(O)	H(C[6,6]C[5,6,6]N[5,6]C[6])	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]N[5,6]H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]N[5,6]C[6])	109.5590	0.000	1	109.5590	0.000	1	109.5590	0.000	1	108.9546	1.013	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O)(C[6]C[6]O)(H){3|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	109.1580	0.000	1	109.1580	0.000	1	109.1580	0.000	1	108.9546	1.013	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6,6a]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.4560	0.000	1	109.4560	0.000	1	109.0990	0.096	3	108.9546	1.013	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.9205	0.023	2	108.9205	0.001	2	109.0990	0.096	3	108.9546	1.013	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	110.2020	0.058	2	110.2020	0.003	2	110.2020	0.003	2	108.9546	1.013	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.0480	0.037	2	108.0480	0.001	2	108.0480	0.001	2	108.9546	1.013	10	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.7717	0.287	3	108.7717	0.082	3	108.9691	0.076	7	108.9691	0.076	7	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9980	0.064	2	108.9980	0.004	2	108.9691	0.076	7	108.9691	0.076	7	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]O)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1170	0.000	1	109.1170	0.000	1	108.9691	0.076	7	108.9691	0.076	7	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(C[6]N[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.3560	0.000	1	109.3560	0.000	1	108.9691	0.076	7	108.9691	0.076	7	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,3x6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,5,6,6]N[6])(C[6,6]C[5,3x6]C[6]H)(H)	H(C[6,6]C[5,3x6]C[6]2)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){2|N<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,5,6,6]N[6])(C[6,6]C[5,3x6]C[6]H)(H){1|C<3>,3|H<1>,6|C<4>}	H(C[6,6]C[5,3x6]C[6]2)	108.5100	0.843	2	108.5100	0.710	2	108.5100	0.710	2	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0410	0.000	1	107.0410	0.000	1	107.0410	0.000	1	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9800	0.000	1	107.9800	0.000	1	107.4269	1.444	19	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.7980	0.000	1	108.7980	0.000	1	107.4269	1.444	19	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.7580	0.000	1	106.7580	0.000	1	107.4269	1.444	19	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1870	1.520	2	109.1870	2.311	2	107.4269	1.444	19	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2500	0.141	2	106.2500	0.020	2	107.4269	1.444	19	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8420	0.000	1	106.6058	1.163	6	107.4269	1.444	19	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5970	0.069	2	106.6058	1.163	6	107.4269	1.444	19	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9240	0.000	1	106.6058	1.163	6	107.4269	1.444	19	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3375	0.688	2	106.6058	1.163	6	107.4269	1.444	19	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.4320	0.000	1	107.3760	0.006	2	107.4269	1.444	19	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]HO)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.3200	0.000	1	107.3760	0.006	2	107.4269	1.444	19	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]O[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]O[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5630	0.000	1	107.5630	0.000	1	107.4269	1.444	19	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.1610	0.000	1	108.2503	0.069	3	107.4269	1.444	19	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2950	0.355	2	108.2503	0.069	3	107.4269	1.444	19	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	N[5a,6]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]N[5a,6]O)(C[6]O[6]CH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[5a,6]O)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	107.5404	1.282	24	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]CO)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]CO)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.1080	0.000	1	108.1080	0.000	1	108.1303	0.049	4	108.1303	0.049	4	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0100	0.218	2	108.1377	0.073	3	108.1303	0.049	4	108.1303	0.049	4	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3930	0.000	1	108.1377	0.073	3	108.1303	0.049	4	108.1303	0.049	4	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]N[6,6]O)(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(O){1|N<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	107.7306	1.180	5	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]C[6])(O)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]O)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]C[6])(O){2|H<1>,2|O<2>,6|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	107.7306	1.180	5	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	107.3150	0.000	1	107.3150	0.000	1	107.3150	0.000	1	107.7306	1.180	5	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.2450	0.000	1	109.2450	0.000	1	109.2450	0.000	1	107.7306	1.180	5	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2850	0.000	1	107.2850	0.000	1	107.2850	0.000	1	107.7306	1.180	5	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]N[6])	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]N[6]){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[3,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C-3:	C[6,6]-4:	C[6,6](C[3,6,6]C[5,6,6]C[3]O[3])(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]N[5])(COO)	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]C[5,6,6]C[3]O[3])(C[6]C[5,6]C)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]N[5])(COO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3,6,6]C[6]2)	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	107.9581	0.673	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	107.9581	0.673	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:N-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	107.9581	0.673	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6680	0.225	3	108.5565	0.084	4	108.5565	0.084	4	107.9581	0.673	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2220	0.000	1	108.5565	0.084	4	108.5565	0.084	4	107.9581	0.673	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,6|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6780	0.000	1	107.6780	0.000	1	107.6780	0.000	1	107.9581	0.673	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]S)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5720	0.216	2	107.5720	0.047	2	107.2088	0.632	5	107.9581	0.673	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]N)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]N){1|C<4>,2|O<2>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1330	0.000	1	108.1330	0.000	1	107.2088	0.632	5	107.9581	0.673	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|Se<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se){1|C<4>,2|O<2>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3790	0.000	1	106.3790	0.000	1	107.2088	0.632	5	107.9581	0.673	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]SeH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]SeH)(H){1|Se<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se){1|Se<2>,1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3880	0.000	1	106.3880	0.000	1	107.2088	0.632	5	107.9581	0.673	13	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O){2|H<1>,3|C<3>,6|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.4470	0.000	1	106.8627	0.179	3	106.8627	0.179	3	107.2688	3.174	21	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O){2|H<1>,3|C<3>,6|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.0705	0.313	2	106.8627	0.179	3	106.8627	0.179	3	107.2688	3.174	21	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6,6]C[6,6]C[6]H)(O){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.3370	0.000	1	108.3370	0.000	1	107.5117	1.391	3	107.2688	3.174	21	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]O[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]O)(C[6]O[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(O){1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1610	0.000	1	106.1610	0.000	1	107.5117	1.391	3	107.2688	3.174	21	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(O){1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.0370	0.000	1	108.0370	0.000	1	107.5117	1.391	3	107.2688	3.174	21	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[5,6]H)(C[6]C[5,6,6]O)(C[6]C[5,6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[5,6]H)(C[6]C[5,6,6]O)(C[6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6,6]C[6]H)(O){5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6920	0.000	1	105.6920	0.000	1	105.6920	0.000	1	107.2688	3.174	21	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[6,6]C[6]H)(O){2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3760	0.000	1	108.3760	0.000	1	107.9838	2.711	12	107.2688	3.174	21	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O){1|C<3>,5|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4195	3.040	2	108.0352	3.531	6	107.9838	2.711	12	107.2688	3.174	21	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O){1|C<3>,6|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.8430	0.441	4	108.0352	3.531	6	107.9838	2.711	12	107.2688	3.174	21	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2C[5])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2C[5])(C[6,6]C[6,6]C[6]H)(O){3|C<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6720	0.000	1	108.6720	0.000	1	107.9838	2.711	12	107.2688	3.174	21	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]2)(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6,6]C[6,6]C[6]H)(O){3|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.2540	0.000	1	109.2540	0.000	1	107.9838	2.711	12	107.2688	3.174	21	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(O){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2190	0.000	2	108.2190	0.000	2	107.9838	2.711	12	107.2688	3.174	21	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]CC)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(O){2|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8540	0.000	1	104.8540	0.000	1	107.9838	2.711	12	107.2688	3.174	21	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(C[6]C[6]CC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O){2|H<1>,3|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.0120	0.141	2	104.0120	0.020	2	104.0120	0.020	2	107.2688	3.174	21	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]N)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]O[6,6]C[6]H)(NN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]N)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]O[6,6]C[6]H)(NN){4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2210	0.000	1	107.2210	0.000	1	107.2210	0.000	1	107.2210	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[5,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CHH)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CHH){5|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	106.8220	0.000	1	106.8220	0.000	1	106.8220	0.000	1	107.2035	0.291	2	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]C)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CHH){5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5850	0.000	1	107.5850	0.000	1	107.5850	0.000	1	107.2035	0.291	2	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H){2|N<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.1830	0.000	1	107.9990	1.332	2	107.9990	1.332	2	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H){2|N<4>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	108.8150	0.000	1	107.9990	1.332	2	107.9990	1.332	2	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6]2C[6])	102.7085	4.760	2	102.7085	22.653	2	102.7085	22.653	2	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){3|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,5|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	107.8200	0.000	1	107.8200	0.000	1	106.4655	2.694	11	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.6000	0.000	1	105.9590	5.427	4	106.4655	2.694	11	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]2C[6])	107.9295	0.021	2	105.9590	5.427	4	106.4655	2.694	11	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	103.3770	0.000	1	105.9590	5.427	4	106.4655	2.694	11	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	105.0710	0.000	1	106.5775	1.545	6	106.4655	2.694	11	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.3665	0.192	2	106.5775	1.545	6	106.4655	2.694	11	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2C[6])	104.8900	0.000	1	106.5775	1.545	6	106.4655	2.694	11	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]N[6,6]C[6]O)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.3855	0.144	2	106.5775	1.545	6	106.4655	2.694	11	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9003	0.154	3	107.9003	0.024	3	107.8442	0.200	12	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[4,6]HH)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[4,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8690	0.414	4	107.8690	0.171	4	107.8442	0.200	12	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]CH)(C[6]C[6,6a]O)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1810	0.000	1	107.1810	0.000	1	107.8442	0.200	12	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1290	0.000	1	107.9430	0.383	4	107.8442	0.200	12	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2143	0.365	3	107.9430	0.383	4	107.8442	0.200	12	106.9136	3.979	27	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NO){1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.2800	0.000	1	106.2800	0.000	1	106.2800	0.000	1	106.2800	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	3:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[5a,6]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[5a,6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CCH){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(O){1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.7228	0.301	4	106.7228	0.091	4	107.3046	0.582	7	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6]2)	107.8790	0.000	1	107.8790	0.000	1	107.3046	0.582	7	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6]2)	108.1810	0.000	2	108.1810	0.000	2	107.3046	0.582	7	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[5,6])(O)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[5,6])(O){4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.4210	0.000	1	107.4210	0.000	1	107.4210	0.000	1	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(O[6]C[6])(O)	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(O[6]C[6])(O){1|F<1>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	107.8670	0.000	1	107.8670	0.000	1	107.8670	0.000	1	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6])(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6])(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	106.5820	0.000	1	106.5820	0.000	1	106.5820	0.000	1	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(O){4|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5217	0.068	4	105.5217	0.005	4	105.3852	0.097	5	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(O){3|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8390	0.000	1	104.8390	0.000	1	105.3852	0.097	5	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]CH)(C[6]C[6]HH)(C[6]O[6]O)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8090	0.000	1	108.8090	0.000	1	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,6]CO)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,6]CO)(C[6]O[6]O)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7530	0.000	1	106.7530	0.000	1	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1977	0.823	3	107.1977	0.678	3	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]O[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2620	0.000	1	105.2620	0.000	1	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1495	0.466	2	106.0906	0.369	9	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2330	0.824	4	106.0906	0.369	9	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4100	0.000	1	106.0906	0.369	9	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.5720	0.000	1	106.0906	0.369	9	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6020	0.000	1	106.0906	0.369	9	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2725	0.370	2	106.0362	0.161	4	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5520	0.000	1	106.0362	0.161	4	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0480	0.000	1	106.0362	0.161	4	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[6a]O[6]H)(C[6]O[6]O)(H){6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.1870	0.000	1	108.1870	0.000	1	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CH)(C[6]O[6]O)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.2490	0.000	1	108.2490	0.000	1	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.0600	0.000	1	106.0600	0.000	1	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.8600	0.000	1	107.4157	1.501	11	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|Si<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3180	0.139	2	107.4157	1.501	11	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.1210	1.465	4	107.4157	1.501	11	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.8982	1.068	4	107.4157	1.501	11	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1785	0.304	4	107.2786	0.119	5	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(O){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6790	0.000	1	107.2786	0.119	5	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|N<3>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.8590	0.000	1	107.8590	0.000	1	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]S[6]H)(C[6]O[6]O)(H){1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|S<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.6780	0.000	1	106.6780	0.000	1	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0220	1.666	2	104.9000	2.866	4	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9480	0.000	1	104.9000	2.866	4	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]O[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.6080	0.000	1	104.9000	2.866	4	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2425	0.091	2	107.3483	0.038	3	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5600	0.000	1	107.3483	0.038	3	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	100.9970	0.000	1	100.9970	0.000	1	106.6462	2.162	48	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:O-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HN)(C[6,6]C[6]2H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(O){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	106.6776	1.931	64	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:2:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-2:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6])(CCN)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6])(CCN){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	109.3805	0.254	2	109.3805	0.064	2	109.3805	0.064	2	109.3805	0.064	2	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5a,6]-3:O-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]O)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5a,6]C[5a,6,6]O[5a])(O)	H(C[6,6]C[3,6,6]C[5,6]C[6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]O)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5a,6]C[5a,6,6]O[5a])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[3,6,6]C[5,6]C[6])	107.0390	0.000	1	107.0390	0.000	1	107.0390	0.000	1	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]N[3,6]C[3]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]N[3,6]C[3]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3,6,6]C[6]2)	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){3|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.4120	0.000	1	106.4120	0.000	1	108.4162	1.506	5	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[4x6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	109.6000	0.000	1	109.6000	0.000	1	108.4162	1.506	5	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.1850	0.000	1	108.1850	0.000	1	108.4162	1.506	5	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.9420	0.001	2	108.9420	0.000	2	108.4162	1.506	5	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(O){2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.3230	0.000	1	108.3230	0.000	1	108.2415	0.013	2	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|N<4>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(O){3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.1600	0.000	1	108.1600	0.000	1	108.2415	0.013	2	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6,6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]C)(H)	H(C[6,6]C[5,5,6]C[6,6]C[6])	C[6,6](C[5,5,6]C[5,5]N[5,6]N[5])(C[6,6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]C)(H){2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[5,5,6]C[6,6]C[6])	109.9210	0.000	1	109.9210	0.000	1	109.9210	0.000	1	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2C[5])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[5,6]2C[5])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]2)	105.3370	0.278	4	105.3370	0.077	4	106.1292	3.196	5	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]I)(H)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|I<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]I)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	109.2980	0.000	1	109.2980	0.000	1	106.1292	3.196	5	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6a]C[6])(O)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6a]C[6])(O){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.8830	0.000	1	107.8830	0.000	1	107.8830	0.000	1	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	106.2610	0.000	1	106.2610	0.000	1	106.2610	0.000	1	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3660	0.250	2	108.3660	0.063	2	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H){2|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.0607	0.171	3	108.0607	0.029	3	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Br)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Br)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.5420	0.000	1	108.5420	0.000	1	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Cl)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Cl)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.1570	0.000	1	108.1570	0.000	1	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.6860	0.150	2	107.9151	0.188	14	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.9910	0.499	4	107.9151	0.188	14	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5000	0.000	1	107.9151	0.188	14	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|F<1>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.8630	0.000	1	107.9151	0.188	14	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.0143	0.147	3	107.9151	0.188	14	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.0290	0.000	1	107.9151	0.188	14	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.0200	1.126	2	107.9151	0.188	14	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H){1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.3320	0.000	1	106.7575	0.362	2	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H){1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1830	0.000	1	106.7575	0.362	2	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5720	0.000	1	107.5720	0.000	1	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7330	0.000	1	108.7330	0.000	1	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7027	1.202	3	107.7027	1.445	3	107.9054	0.383	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.7150	0.000	1	108.7150	0.000	1	108.0368	0.593	5	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3030	0.000	1	108.3030	0.000	1	108.0368	0.593	5	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.2290	0.021	2	108.2290	0.000	2	108.0368	0.593	5	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7080	0.000	1	106.7080	0.000	1	108.0368	0.593	5	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5x6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5x6]C[5,6,6]C[3x6]2)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[5x6]H)(C[6]C[6]H)(H)	H(C[6,6]C[5,6]C[5x6]C[6])	C[6,6](C[5x6]C[5,6,6]C[3x6]2)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|Si<4>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5,6]C[5x6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6]C[5x6]C[6])	107.5730	0.000	1	107.5730	0.000	1	107.5730	0.000	1	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[4x6]C[3x6]2Cl)(C[6]C[6]H)(H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[4x6]C[3x6]2Cl)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H){1|Cl<1>,2|H<1>,5|C<4>}	H(C[6,6]C[4x6]C[6,6]C[6])	105.9510	0.000	1	105.9510	0.000	1	105.9510	0.000	1	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.1180	0.000	1	106.1180	0.000	1	106.3010	0.067	2	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.4840	0.000	1	106.4840	0.000	1	106.3010	0.067	2	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:F-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]FH)(C[6,6]C[6]3)(C[6]C[6]F)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[6]H)(F)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]FH)(C[6,6]C[6]3)(C[6]C[6]F)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[6]H)(F){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]H)(H){1|C<3>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.8720	0.000	1	104.8720	0.000	1	106.1759	1.901	15	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	106.3092	0.086	4	106.3092	0.007	4	106.1759	1.901	15	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]H)(H){1|O<2>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.3040	0.147	2	104.3040	0.022	2	106.1759	1.901	15	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H){1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7760	0.069	2	104.7760	0.005	2	106.1759	1.901	15	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]Br)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]Br)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.1635	0.320	2	108.1635	0.103	2	106.1759	1.901	15	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	107.4495	0.732	2	107.4703	0.269	3	106.1759	1.901	15	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5120	0.000	1	107.4703	0.269	3	106.1759	1.901	15	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.6310	0.000	1	105.6310	0.000	1	106.1759	1.901	15	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(O){1|C<3>,1|O<2>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.2670	0.000	1	105.2670	0.000	1	105.2253	2.242	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O){1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6160	0.000	1	104.6160	0.000	1	105.2253	2.242	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7267	1.642	3	105.7267	2.696	3	105.2253	2.242	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O){7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.2947	0.315	13	104.4123	0.132	18	105.2253	2.242	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O){1|C<3>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.9410	0.050	3	104.4123	0.132	18	105.2253	2.242	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O){7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.3840	0.180	2	104.4123	0.132	18	105.2253	2.242	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	106.9270	0.000	1	106.9270	0.000	1	105.2253	2.242	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1975	0.155	2	108.2240	0.333	4	105.2253	2.242	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	108.9480	0.000	1	108.2240	0.333	4	105.2253	2.242	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	107.5530	0.000	1	108.2240	0.333	4	105.2253	2.242	28	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]B[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]B[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|B<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2200	0.000	1	108.2200	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]H)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6740	0.000	1	107.6740	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]H)(H){2|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6250	0.000	1	106.6250	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7425	0.960	2	107.7425	0.921	2	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6219	0.188	7	107.6219	0.035	7	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3745	0.039	2	108.3745	0.002	2	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.0670	0.000	1	106.0670	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]C[6]CS)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]C[6]CS)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6690	0.000	1	106.6690	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8560	0.000	1	107.8560	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9110	0.000	1	108.9110	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1670	0.000	1	104.6355	0.565	2	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.1040	0.000	1	104.6355	0.565	2	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3130	0.000	1	106.0860	0.357	5	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.2810	0.000	1	106.0860	0.357	5	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2787	0.555	3	106.0860	0.357	5	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8722	0.186	4	105.8722	0.034	4	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1500	0.163	4	106.1500	0.026	4	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4410	0.000	1	107.4410	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4295	0.112	2	107.5520	0.051	3	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7970	0.000	1	107.5520	0.051	3	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4340	0.000	1	106.4340	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9730	0.122	2	108.9730	0.015	2	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HI)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HI)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	109.4340	0.000	1	109.4340	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H){2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.1780	0.000	1	104.1780	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.3320	0.000	1	106.3320	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6520	0.000	1	107.6520	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8510	0.000	1	107.8510	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3570	0.000	1	106.3570	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2010	0.000	1	106.2010	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6])(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6])(H){1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.7080	0.293	2	108.7080	0.086	2	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7070	0.000	1	104.7070	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6280	0.000	1	108.6280	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8220	0.034	2	107.8220	0.001	2	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4380	0.000	1	107.2927	0.128	8	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1705	0.824	2	107.2927	0.128	8	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1090	0.000	1	107.2927	0.128	8	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4203	0.191	3	107.2927	0.128	8	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1930	0.000	1	107.2927	0.128	8	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.4470	0.000	1	108.4470	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4410	0.000	1	106.4410	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1030	0.000	1	108.1030	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5395	0.025	2	107.5476	0.318	5	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5530	0.797	3	107.5476	0.318	5	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6015	0.223	2	108.9107	7.148	26	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	112.5410	0.000	1	108.9107	7.148	26	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.9635	0.988	2	108.9107	7.148	26	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3830	0.000	1	108.9107	7.148	26	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.8660	0.000	1	108.9107	7.148	26	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8840	0.000	1	108.9107	7.148	26	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2675	1.018	2	108.9107	7.148	26	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	111.4957	4.191	6	108.9107	7.148	26	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5430	0.000	2	108.9107	7.148	26	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8145	0.054	2	108.9107	7.148	26	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9770	0.000	1	108.9107	7.148	26	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3760	0.000	1	108.9107	7.148	26	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3840	0.000	1	108.9107	7.148	26	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6373	0.179	3	108.9107	7.148	26	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2550	0.083	5	107.2550	0.007	5	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2970	0.000	1	107.2970	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9720	0.000	1	106.9720	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2820	0.000	1	107.2820	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9150	0.000	1	106.9150	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2010	0.000	1	108.2010	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.1610	0.000	1	108.1610	0.000	1	107.6050	3.132	106	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7110	0.000	1	107.7110	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(O){3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.0820	0.000	1	106.0820	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0420	0.184	2	107.0420	0.034	2	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a])(O){4|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.8420	0.000	1	104.8420	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O){1|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4330	0.000	1	104.3450	0.015	2	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O){2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.2570	0.000	1	104.3450	0.015	2	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.0080	0.124	2	108.0080	0.015	2	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9040	0.533	3	106.9040	0.284	3	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6730	0.000	1	105.6730	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4500	0.000	1	107.1505	3.377	2	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.8510	0.000	1	107.1505	3.377	2	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0880	0.000	1	109.0880	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[5,6]HO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3190	0.000	1	108.3190	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.5530	0.000	1	108.5530	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(O){2|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.0410	0.000	1	106.0410	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3790	0.000	1	104.3790	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7100	0.000	1	106.7100	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|C<3>,1|I<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1790	0.412	2	107.1790	0.169	2	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.8170	0.000	1	106.8170	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.8280	0.000	1	105.8280	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0320	0.000	1	107.0320	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]O[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6130	0.000	1	107.6130	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4650	0.000	1	106.4650	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8570	0.000	1	107.8570	0.000	1	106.7990	1.651	29	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]H)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7070	0.000	1	106.7070	0.000	1	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5117	0.094	3	108.5117	0.009	3	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.2217	1.160	6	106.2217	1.346	6	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5935	0.077	2	108.4795	0.067	4	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3655	0.377	2	108.4795	0.067	4	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4330	0.000	1	108.4330	0.000	1	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4140	0.000	1	107.6880	1.054	2	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9620	0.000	1	107.6880	1.054	2	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.8100	0.000	1	104.8100	0.000	1	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6125	0.534	2	109.0579	1.081	7	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.1120	0.000	1	109.0579	1.081	7	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.7670	0.045	4	109.0579	1.081	7	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3650	0.000	1	105.3650	0.000	1	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5660	0.000	1	106.5660	0.000	1	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.1050	0.000	1	106.1050	0.000	1	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1325	0.643	2	107.1325	0.413	2	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6a]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]2)	108.3450	0.000	1	108.3450	0.000	1	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,1|S<1>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.4420	0.000	1	109.4420	0.000	1	107.6751	2.211	32	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:S-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(S)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(S){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:S[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(S[6]N[6]OO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]S[6])	C[6,6](C[6,6]C[6]2H)(S[6]N[6]OO)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]C[6]S[6])	107.4655	0.139	2	107.4655	0.019	2	107.4655	0.019	2	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5990	0.000	1	107.5990	0.000	1	107.5614	0.057	5	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4260	0.000	1	107.4260	0.000	1	107.5614	0.057	5	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5940	0.321	3	107.5940	0.103	3	107.5614	0.057	5	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3710	0.205	2	106.3710	0.042	2	106.3710	0.042	2	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]O[6]C)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]N[6]O)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]O[6]C)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	107.2361	2.822	277	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.3620	0.000	1	107.7150	0.837	2	107.7150	0.837	2	108.0950	0.679	9	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<2>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.0680	0.000	1	107.7150	0.837	2	107.7150	0.837	2	108.0950	0.679	9	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]N)(H){2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NN){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1490	0.000	1	107.1490	0.000	1	107.1490	0.000	1	108.0950	0.679	9	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|C<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0990	0.000	1	109.0990	0.000	1	108.3793	0.586	6	108.0950	0.679	9	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(OC){1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6760	0.000	1	108.6760	0.000	1	108.3793	0.586	6	108.0950	0.679	9	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5520	0.093	2	108.5520	0.009	2	108.3793	0.586	6	108.0950	0.679	9	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.5130	0.000	1	108.5130	0.000	1	108.3793	0.586	6	108.0950	0.679	9	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(OC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(OC){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8840	0.000	1	106.8840	0.000	1	108.3793	0.586	6	108.0950	0.679	9	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]C)(COO)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]C)(COO){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6]2)	108.3450	0.000	1	108.3450	0.000	1	107.3863	0.969	3	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CHH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.9070	0.748	2	106.9070	0.560	2	107.3863	0.969	3	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]H)(NOO)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]H)(NOO){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6]2)	106.4790	0.000	1	106.4790	0.000	1	106.4790	0.000	1	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C-3:	C[6,6]-4:	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(H){2|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.7860	0.000	1	107.7860	0.000	1	107.7860	0.000	1	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CHH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CHH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5000	0.000	1	107.5000	0.000	1	107.2740	0.046	4	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(COO)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1987	0.186	3	107.1987	0.035	3	107.2740	0.046	4	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]Al)(CCN)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|Al<5>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6]Al)(CCN){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	109.4025	0.022	2	109.4025	0.000	2	109.5372	0.095	6	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]Pd)(CCN)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6]Pd)(CCN){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2C[6])	109.7360	0.580	2	109.7360	0.336	2	109.5372	0.095	6	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]Al)(CCN)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6]C)(H){1|Al<5>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6]Al)(CCN){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	109.4730	0.115	2	109.4730	0.013	2	109.5372	0.095	6	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){2|Br<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.1630	0.000	1	105.1630	0.000	1	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(CCO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(CCO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0390	0.000	1	109.0390	0.000	1	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(CHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(CHO){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4950	0.000	1	106.4950	0.000	1	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(CCO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(CCO){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5480	0.000	1	107.5480	0.000	1	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(C[6]C[6]C)(H){1|O<1>,1|S<4>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCC){1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5630	0.000	1	108.5630	0.000	1	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5320	0.000	1	108.8263	0.071	3	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9735	0.111	2	108.8263	0.071	3	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(COO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5820	0.000	1	108.5820	0.000	1	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.9790	0.000	1	108.8365	0.041	2	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	108.6940	0.000	1	108.8365	0.041	2	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HO)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HO)(C[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4380	0.000	1	106.4380	0.000	1	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CHH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0090	0.000	1	107.0090	0.000	1	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9838	0.119	4	107.9838	0.014	4	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.4230	0.000	1	108.0263	1.491	3	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3280	0.235	2	108.0263	1.491	3	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(CCC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6500	0.000	1	107.6500	0.000	1	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.6400	0.000	1	106.6400	0.000	1	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CC[6a]O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9340	0.000	1	108.9340	0.000	1	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(CC[6a]2)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(CC[6a]2){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]2)	109.0520	0.000	1	109.0520	0.000	1	107.9700	1.142	24	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]N)(NOO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:N[3x6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H)	C[6](C[6,6]C[6,6]N[3x6]H)(C[6]C[6]H)(C[6]N[6]H)	H(C[6,6]C[6,6]N[3x6]C[6])	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[3x6]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C[6])	107.1750	0.178	2	107.1750	0.032	2	107.1750	0.032	2	108.0320	1.242	42	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]H)(CH3)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|O<2>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]H)(CH3){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]2)	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.6355	0.206	2	107.6355	0.042	2	107.6355	0.042	2	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.5910	0.000	1	107.5910	0.000	1	107.5910	0.000	1	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.6250	0.000	1	105.9170	0.171	2	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2090	0.000	1	105.9170	0.171	2	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.5545	0.230	2	108.5545	0.053	2	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.9660	0.000	1	106.9660	0.000	1	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5540	0.000	1	107.5540	0.000	1	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7010	0.000	1	106.7010	0.000	1	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.5250	0.000	1	105.4535	0.010	2	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.3820	0.000	1	105.4535	0.010	2	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7880	0.000	1	106.7880	0.000	1	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4200	0.000	1	107.4200	0.000	1	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4200	0.000	1	108.4200	0.000	1	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHHO){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6942	0.121	4	105.6942	0.015	4	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8008	0.293	6	105.8008	0.086	6	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.0230	0.000	1	109.0230	0.000	1	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.5700	0.000	1	107.5700	0.000	1	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4590	0.000	1	107.4590	0.000	1	106.6133	1.318	25	106.7523	1.257	29	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	B[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[3,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[3,6,6]C[5,6]C[6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[3,6,6]C[5,6]C[6])	105.1180	0.000	1	105.1180	0.000	1	105.1180	0.000	1	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[3,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[3,6]C[6,6]C[6])	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	H(C[6,6]C[3,6]C[6,6]C[6])	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[3x6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[3x6]C[5,6]C[6])	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H){2|C<3>,4|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[5,6]C[6])	106.8235	0.203	4	106.8235	0.041	4	106.3028	1.386	5	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[3x6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]2)(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6,6]CH)(O)	H(C[6,6]C[3x6]C[5,6]C[6])	C[6,6](C[3x6]C[3x6]C[6]2)(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H){2|C<3>,2|O<2>,5|C<4>,9|H<1>}	C[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6,6]CH)(O){1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[3x6]C[5,6]C[6])	104.2200	0.000	1	104.2200	0.000	1	106.3028	1.386	5	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(O)	H(C[6,6]C[3x6]C[6,6]C[6])	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(O){1|H<1>,7|C<4>}	H(C[6,6]C[3x6]C[6,6]C[6])	106.0370	0.167	2	106.0370	0.028	2	106.0370	0.028	2	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(O){3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.7350	0.117	2	107.7350	0.014	2	106.8630	1.584	8	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	108.5960	0.000	1	108.5960	0.000	1	106.8630	1.584	8	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.4060	0.000	1	106.4060	0.000	1	106.8630	1.584	8	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	105.5880	0.640	3	106.1080	1.354	4	106.8630	1.584	8	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6680	0.000	1	106.1080	1.354	4	106.8630	1.584	8	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5x6]O[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[5x6]O[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]H)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[4x6]C[6]2)	103.2360	0.000	1	103.2360	0.000	1	103.2360	0.000	1	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O){1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6]2)	104.9670	0.000	1	105.2450	0.041	5	105.2450	0.041	5	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O){1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6]2)	105.4045	0.094	2	105.2450	0.041	5	105.2450	0.041	5	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O){1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6]2)	105.1090	0.000	1	105.2450	0.041	5	105.2450	0.041	5	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[4x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[4x6]C[6]2)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[4x6]C[6]2)	105.3400	0.000	1	105.2450	0.041	5	105.2450	0.041	5	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]CH)(O)	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]O)(H){1|C<3>,3|O<2>,6|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]CH)(O){1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	105.2175	0.336	2	105.2175	0.113	2	105.7293	0.842	3	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]O[6]HH)(O)	H(C[6,6]C[5,6,6]C[5,6]C[6])	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]O[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[5,6,6]C[5,6]C[6])	106.7530	0.000	1	106.7530	0.000	1	105.7293	0.842	3	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){10|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H){1|O<2>,7|C<4>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	105.0150	0.000	1	105.0150	0.000	1	105.0150	0.000	1	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.6320	0.000	2	108.4060	0.799	4	107.1183	3.421	13	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5]O[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	109.1800	0.000	2	108.4060	0.799	4	107.1183	3.421	13	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(O)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	105.7848	0.738	4	105.7848	0.544	4	107.1183	3.421	13	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	104.9640	1.960	2	104.9640	3.842	2	107.1183	3.421	13	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]O[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]O[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	109.8930	0.000	1	109.8930	0.000	1	107.1183	3.421	13	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(O)	H(C[6,6]C[5,6,6]C[6]2)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]2)	107.9770	0.990	2	107.9770	0.980	2	107.1183	3.421	13	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.1025	0.022	2	107.1025	0.000	2	107.1025	0.000	2	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	104.4560	0.000	1	108.1326	1.752	10	107.3796	3.906	16	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|F<1>,5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.8203	0.095	4	108.1326	1.752	10	107.3796	3.906	16	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.3178	0.199	5	108.1326	1.752	10	107.3796	3.906	16	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){1|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	107.3740	0.000	1	107.3217	0.698	4	107.3796	3.906	16	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){1|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	106.7155	0.103	2	107.3217	0.698	4	107.3796	3.906	16	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4820	0.000	1	107.3217	0.698	4	107.3796	3.906	16	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	101.6790	0.000	1	101.6790	0.000	1	107.3796	3.906	16	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(O){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.7810	0.000	1	105.7810	0.000	1	107.3796	3.906	16	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(O)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,5|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(O){1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.1070	0.000	1	105.1070	0.000	1	105.1070	0.000	1	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	104.6670	0.000	1	104.6670	0.000	1	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|H<1>,7|C<4>}	H(C[6,6]C[6,6]2C[6])	105.2640	0.000	1	105.2640	0.000	1	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.2650	0.000	1	105.5382	0.687	13	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	105.1275	0.394	6	105.5382	0.687	13	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	105.5927	0.825	3	105.5382	0.687	13	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	105.7130	0.037	2	105.5382	0.687	13	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	107.7620	0.000	1	105.5382	0.687	13	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(O){2|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	103.9717	0.288	3	103.9717	0.083	3	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O){2|H<1>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.4714	0.261	5	104.4714	0.068	5	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]O)(H){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[6,6]2C[6])	104.7060	0.000	1	104.7060	0.000	1	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.2700	0.000	1	106.7055	0.379	2	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2C[6])	107.1410	0.000	1	106.7055	0.379	2	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	108.0547	0.296	3	108.0036	0.195	7	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	108.1973	0.408	3	108.0036	0.195	7	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(H){2|C<3>,2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.2690	0.000	1	108.0036	0.195	7	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]O)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	107.9190	0.000	1	107.9190	0.000	1	105.8312	2.207	34	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2Rh)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]RhH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2Rh)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	118.7950	0.000	1	118.7950	0.000	1	113.3535	59.220	2	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9120	0.000	1	107.9120	0.000	1	113.3535	59.220	2	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.2700	0.000	1	107.2700	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(O){2|C<3>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.1820	0.000	1	104.1820	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.5730	0.000	1	108.5730	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[5]H)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[5]H)(O){2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0310	0.000	1	107.0310	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8170	0.000	1	107.8170	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(O){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.3680	0.000	1	105.3680	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.4660	0.000	1	105.4660	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5390	0.000	1	106.5390	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(O){8|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.7410	0.000	1	103.7410	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(O){1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.9840	0.000	1	103.9840	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O){3|C<3>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.7700	0.000	1	104.4913	0.344	4	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O){1|C<3>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.9185	0.359	2	104.4913	0.344	4	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O){8|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.3580	0.000	1	104.4913	0.344	4	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2950	0.000	1	106.5952	0.081	5	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6980	0.000	1	106.5952	0.081	5	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Cl<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.4765	0.066	2	106.5952	0.081	5	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.0300	0.000	1	106.5952	0.081	5	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClC)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClC)(O){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9930	0.000	1	106.9930	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4870	0.000	1	106.4870	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.0905	0.021	2	107.0905	0.000	2	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.0180	0.000	1	105.5187	0.188	3	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7690	0.000	2	105.5187	0.188	3	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){2|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.8700	0.000	1	107.8700	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4265	0.104	2	108.4493	0.007	3	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.4950	0.000	1	108.4493	0.007	3	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O){2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.8570	0.000	1	107.8570	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|N<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.0950	0.000	1	104.0950	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.1520	0.000	2	106.1520	0.000	2	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5530	0.187	2	106.5530	0.035	2	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O){1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.4840	0.000	1	104.6080	0.031	2	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){3|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O){1|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]2)	104.7320	0.000	1	104.6080	0.031	2	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7370	0.190	2	106.7370	0.036	2	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|S<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3735	0.262	2	106.3735	0.069	2	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5405	0.118	2	107.2873	0.199	3	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.7810	0.000	1	107.2873	0.199	3	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.3410	0.000	1	108.3410	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.1770	0.000	1	107.5650	0.301	2	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.9530	0.000	1	107.5650	0.301	2	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6850	0.000	1	107.2132	0.171	5	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8600	0.000	1	107.2132	0.171	5	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9410	0.091	2	107.2132	0.171	5	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.6390	0.000	1	107.2132	0.171	5	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8700	0.000	1	106.8700	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.5980	0.000	1	107.5980	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]HO)(C[6]C[6]O)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.9550	0.000	1	105.9550	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7270	0.000	1	107.7270	0.000	1	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(O){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9970	0.000	2	104.9970	0.000	2	106.4524	1.688	59	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]H)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	102.4460	0.000	1	102.4460	0.000	1	102.4460	0.000	1	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9775	1.852	2	104.9775	3.430	2	104.9775	3.430	2	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.1640	0.000	1	104.1640	0.000	1	107.0407	1.247	12	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3225	0.896	4	107.4687	0.554	7	107.0407	1.247	12	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	107.7560	0.000	1	107.4687	0.554	7	107.0407	1.247	12	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.6175	0.839	2	107.4687	0.554	7	107.0407	1.247	12	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.4150	0.028	2	107.4150	0.001	2	107.0407	1.247	12	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.3050	0.000	1	106.3050	0.000	1	107.0407	1.247	12	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9080	0.000	1	106.9080	0.000	1	107.0407	1.247	12	106.5111	3.285	171	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(NO)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(NO){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.2710	0.089	2	106.2710	0.008	2	107.3363	3.170	4	107.3363	3.170	4	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]N)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8260	0.000	1	106.8260	0.000	1	107.3363	3.170	4	107.3363	3.170	4	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:2:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]N)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.9770	0.000	1	109.9770	0.000	1	107.3363	3.170	4	107.3363	3.170	4	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[3,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CHH)	H(C[6,6]C[3,6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CHH){4|C<4>,4|H<1>}	H(C[6,6]C[3,6,6]C[6]2)	105.4360	0.000	1	105.4360	0.000	1	105.4360	0.000	1	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.6105	0.199	2	107.6105	0.039	2	107.1598	0.526	5	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	106.7740	0.000	1	106.7740	0.000	1	107.1598	0.526	5	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CHH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|B<4>,1|C<3>,2|C<4>,9|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CHH){1|P<4>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]2)	106.0720	0.000	1	106.0720	0.000	1	107.1598	0.526	5	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[3x6]C[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]2)	107.7320	0.000	1	107.7320	0.000	1	107.1598	0.526	5	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[5,6,6]C[6,6]C[6])	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]C[6])	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]C[6])	108.4590	0.031	2	108.4590	0.001	2	107.6197	2.114	3	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[5,6]C[6,6]C[6])	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]C)(H){1|C<4>,2|O<1>,4|C<3>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]C[6])	105.9410	0.000	1	105.9410	0.000	1	107.6197	2.114	3	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|N<4>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2C[6])	108.9466	0.539	53	108.9620	0.541	62	108.9297	0.598	63	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|N<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH){3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2C[6])	109.0532	1.492	9	108.9620	0.541	62	108.9297	0.598	63	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[6]HH)(CCH)	H(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2C[6])	106.9210	0.000	1	106.9210	0.000	1	108.9297	0.598	63	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)(H){2|H<1>,4|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(CHH){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7630	0.000	1	105.7630	0.000	1	105.7630	0.000	1	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[5,6,6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[5,6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7730	0.000	1	107.7730	0.000	1	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[3x6]HH)(C[6]N[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6170	0.037	2	108.6170	0.001	2	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	109.5080	0.000	1	109.5080	0.000	1	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.3180	0.000	1	107.3180	0.000	1	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.8200	0.000	1	105.8200	0.000	1	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[5]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.7970	0.000	1	106.7970	0.000	1	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.7830	0.000	1	105.6670	0.027	2	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.5510	0.000	1	105.6670	0.027	2	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6695	0.010	4	105.6695	0.000	4	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]2)	108.2120	0.000	1	108.2120	0.000	1	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	108.6967	0.176	3	108.6967	0.031	3	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CHH){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.5770	0.000	1	106.5770	0.000	1	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	105.6830	0.000	1	106.2237	0.220	3	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.5110	0.000	1	106.2237	0.220	3	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.4770	0.000	1	106.2237	0.220	3	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8022	0.171	5	106.8022	0.029	5	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]C)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	107.1930	0.000	1	107.1930	0.000	1	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	106.6320	0.000	1	106.6320	0.000	1	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HN)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	105.1605	0.149	2	105.1605	0.022	2	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]2)	103.7980	0.000	1	104.3550	0.620	2	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]2)	104.9120	0.000	1	104.3550	0.620	2	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.7870	0.000	1	107.7870	0.000	1	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]H)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	107.2750	0.000	1	107.2750	0.000	1	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.9785	0.260	2	106.9785	0.067	2	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]2)	106.8070	0.000	1	106.8070	0.000	1	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]2)	106.7690	0.000	1	106.7690	0.000	1	106.7756	1.560	38	108.0126	2.057	112	107.5596	3.302	1170	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[3x6]	H	3:2:1:1:	4:3:4:	4:	C[3x6]-3:O[6]-2:H-1:H-1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6])(O[6]O[6])(H)2	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]H)(C[6]O[6]HH)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[4x6]C[6,6])(O[6]O[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]H)(C[6]O[6]HH){1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[3x6]O[6]H)	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	109.3760	1.085	3	109.1980	0.464	32	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[3x6]	H	3:2:1:1:	4:3:4:	4:	C[3x6]-3:O[6]-2:H-1:H-1:	C[5x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[5x6]C[6,6])(O[6]C[6])(H)2	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(C[6]O[6]HH)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[5x6]C[6,6])(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[3x6]O[6]H)	109.3905	1.473	2	109.3905	2.169	2	109.3905	2.169	2	109.3760	1.085	3	109.1980	0.464	32	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[3x6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:C[3x6]-3:H-1:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[3x6]H)	109.0831	0.082	12	109.0831	0.007	12	109.0831	0.007	12	109.0831	0.007	12	109.1980	0.464	32	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[3x6]	H	3:4:1:1:	4:3:4:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)2	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.2810	0.024	2	109.2810	0.001	2	109.5433	0.092	4	109.4005	0.285	15	109.1980	0.464	32	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[3x6]	H	3:4:1:1:	4:3:4:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2)(C[6]C[6]HO)(H)2	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]O[6])(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]O[6])(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	109.8055	0.018	2	109.8055	0.000	2	109.5433	0.092	4	109.4005	0.285	15	109.1980	0.464	32	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[3x6]	H	3:4:1:1:	4:3:4:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[3x6]HH)(H)2	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]O[6])(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]O[6])(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	109.6880	0.004	2	109.6880	0.000	2	109.6880	0.000	2	109.4005	0.285	15	109.1980	0.464	32	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[3x6]	H	3:4:1:1:	4:3:4:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6])(C[6]C[6]HH){3|O<2>,4|C<4>,8|H<1>}	H(C[6]C[3x6]C[6]H)	109.0950	0.035	2	109.0950	0.001	2	109.6330	0.195	6	109.4005	0.285	15	109.1980	0.464	32	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[3x6]	H	3:4:1:1:	4:3:4:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|O<2>,5|H<1>}	H(C[6]C[3x6]C[6]H)	109.7405	0.006	2	109.7405	0.000	2	109.6330	0.195	6	109.4005	0.285	15	109.1980	0.464	32	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[3x6]	H	3:4:1:1:	4:3:4:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2{1|C<3>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|O<1>,3|C<4>,4|O<2>,6|H<1>}	H(C[6]C[3x6]C[6]H)	110.0635	0.016	2	110.0635	0.000	2	109.6330	0.195	6	109.4005	0.285	15	109.1980	0.464	32	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[3x6]	H	3:4:1:1:	4:3:4:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]H)(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[3x6](C[4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.6015	0.045	2	108.6015	0.002	2	108.5537	0.008	3	109.4005	0.285	15	109.1980	0.464	32	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[3x6]	H	3:4:1:1:	4:3:4:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]Br)(C[6]C[6]HH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]Br)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	108.4580	0.000	1	108.4580	0.000	1	108.5537	0.008	3	109.4005	0.285	15	109.1980	0.464	32	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[3x6]	H	3:4:2:1:	4:3:4:	4:	C[3x6]-3:C[6]-4:O-2:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]C[6]HO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]O)	109.6610	0.000	1	109.6610	0.000	1	109.6610	0.000	1	109.6610	0.000	1	109.1980	0.464	32	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[3x6]	H	3:4:4:1:	4:3:4:	4:	C[3x6]-3:C[5,6]-4:C-4:H-1:	C[5x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]H)(C[6]C[5,6]CH)	H(C[6]C[3x6]C[5,6]C)	C[6](C[3x6]C[5x6]C[6,6])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]H)(C[6]C[5,6]CH){1|Si<4>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[3x6]C[5,6]C)	106.5420	0.000	1	106.5420	0.000	1	106.5420	0.000	1	106.5420	0.000	1	109.1980	0.464	32	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	3:3:4:	4:	C[6,6]-3:O[6]-2:F-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(O[6]S[6])(F)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]O[6]FH)	H(C[6]C[6,6]O[6]F)	C[6](C[6,6]C[6,6a]C[6,6])(O[6]S[6])(F)(H){1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]O[6]FH){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6]O[6]F)	108.2830	0.000	1	108.2830	0.000	1	108.2830	0.000	1	109.6627	1.629	15	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	3:3:4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.4641	0.123	8	109.4641	0.015	8	109.4118	0.024	10	109.6627	1.629	15	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	3:3:4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	109.2025	0.040	2	109.2025	0.002	2	109.4118	0.024	10	109.6627	1.629	15	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	3:3:4:	4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(S[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]O[6])(C[6]S[6]HH)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]2)(S[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]O[6])(C[6]S[6]HH){1|C<4>,5|C<3>}	H(C[6]C[6,6]S[6]H)	112.2795	2.336	2	112.2795	5.455	2	112.2795	5.455	2	109.6627	1.629	15	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	3:3:4:	4:	C[6,6]-3:S[6]-2:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]S[6]H)	108.9900	0.037	2	108.9900	0.001	2	108.9900	0.001	2	109.6627	1.629	15	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	3:4:3:	4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]S[6]HH)(C[6]O[6]C)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]S[6]HH)(C[6]O[6]C){1|C<4>,3|C<3>}	H(C[6]C[6,6]S[6]H)	112.6750	0.424	2	112.6750	0.180	2	111.0959	1.860	7	110.6704	2.108	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	3:4:3:	4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]S[6]HH)(C[6]O[6]C)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]S[6]HH)(C[6]O[6]C){1|C<4>,3|C<3>}	H(C[6]C[6,6]S[6]H)	110.4642	1.000	5	110.4642	0.999	5	111.0959	1.860	7	110.6704	2.108	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	3:4:3:	4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]S[6]H)	109.1815	0.013	2	109.1815	0.000	2	109.1815	0.000	2	110.6704	2.108	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	3:4:4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[3x6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(H)2	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH){4|C<3>,4|C<4>}	H(C[6]C[6,6]O[6]H)	108.4260	0.007	2	108.4260	0.000	2	108.4260	0.000	2	108.5736	0.046	16	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	3:4:4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)2	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	108.5080	0.015	12	108.5080	0.000	12	108.5947	0.049	14	108.5736	0.046	16	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	3:4:4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	109.1150	0.041	2	109.1150	0.002	2	108.5947	0.049	14	108.5736	0.046	16	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	4:3:4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6]O[6]H)	109.2662	0.416	4	109.2662	0.173	4	109.2662	0.173	4	109.2103	0.112	6	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	4:3:4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(H)2	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6]C[6,6a]H)(C[6]O[6]HH){6|C<3>}	H(C[6]C[6,6]O[6]H)	109.0985	0.057	2	109.0985	0.003	2	109.0985	0.003	2	109.2103	0.112	6	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	4:4:3:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.1760	0.008	2	109.3846	0.034	10	109.4233	0.027	16	109.4233	0.027	16	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	4:4:3:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]H)	109.4368	0.166	8	109.3846	0.034	10	109.4233	0.027	16	109.4233	0.027	16	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	4:4:3:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]O[6]H)	109.4800	0.233	2	109.4800	0.054	2	109.4233	0.027	16	109.4233	0.027	16	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:1:1:	4:4:3:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.4917	0.064	4	109.4917	0.004	4	109.4233	0.027	16	109.4233	0.027	16	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:2:1:	3:3:4:	4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]O)	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	111.6080	8.307	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:2:1:	3:3:4:	4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]O[6]HO)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H){1|C<4>,1|O<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]O[6]HO){1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6]O[6]O)	113.6460	0.000	1	113.6460	0.000	1	113.6460	0.000	1	111.6080	8.307	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:2:1:	3:4:3:	4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H){1|C<4>,1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]O[6]O)	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:2:1:	3:4:4:	4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]O)	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:3:1:	3:3:4:	4:	C[6,6]-3:O[6]-2:C-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]C)	108.1510	0.000	1	108.1510	0.000	1	108.1510	0.000	1	108.1510	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:4:1:	3:3:4:	4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]C)	107.3253	0.149	3	107.3253	0.022	3	107.3253	0.022	3	107.3253	0.022	3	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:4:1:	3:4:3:	4:	C[6,6]-3:O[6]-2:C-4:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]C)	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:4:1:	3:4:4:	4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]O[6]C)	108.6920	0.000	1	108.6920	0.000	1	108.2415	0.406	2	108.2415	0.406	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:2:4:1:	3:4:4:	4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H){5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]O[6]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]O[6]C)	107.7910	0.000	1	107.7910	0.000	1	108.2415	0.406	2	108.2415	0.406	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.9205	0.057	2	108.9205	0.003	2	108.9205	0.003	2	109.1277	0.475	6	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.4830	0.018	2	108.4830	0.000	2	108.4830	0.000	2	109.1277	0.475	6	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:3:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]N[6]HH){1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6,6]N[6]H)	109.9795	0.047	2	109.9795	0.002	2	109.9795	0.002	2	109.1277	0.475	6	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6])2(H)2{1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6]2H)	109.2433	0.088	6	109.2433	0.008	6	109.3662	0.030	10	109.2485	0.704	41	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6])2(H)2{1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]2H)	109.5505	0.014	4	109.5505	0.000	4	109.3662	0.030	10	109.2485	0.704	41	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])2(H)2	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[6,6]C[6])2(H)2{1|Ga<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]2H)	108.8130	0.026	3	108.7081	0.010	7	108.8156	0.029	11	109.2485	0.704	41	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])2(H)2	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[6,6]C[6])2(H)2{1|Ga<5>,2|H<1>,4|C<3>}	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6]2H)	108.6295	0.031	4	108.7081	0.010	7	108.8156	0.029	11	109.2485	0.704	41	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])2(H)2	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[6,6]C[6])2(H)2{1|In<6>,2|H<1>,4|C<3>}	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]2H)	109.0037	0.033	4	109.0037	0.001	4	108.8156	0.029	11	109.2485	0.704	41	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.9120	0.045	2	109.9120	0.002	2	110.9818	2.943	4	109.2485	0.704	41	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){1|Ni<3>,1|Ni<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	112.0515	2.061	2	112.0515	4.249	2	110.9818	2.943	4	109.2485	0.704	41	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]Ru)(H)2	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]Ru)(H)2{1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<8>,1|C<3>,1|O<2>,2|F<1>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7820	0.065	2	108.7820	0.004	2	108.7820	0.004	2	109.2485	0.704	41	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.2345	0.076	2	109.2345	0.006	2	109.2345	0.006	2	109.2485	0.704	41	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]N[6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{2|H<1>,2|N<3>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]N[6]H){1|Ru<6>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.3040	0.072	2	109.3040	0.005	2	109.5128	0.205	6	109.2485	0.704	41	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.4850	0.013	2	109.6172	0.296	4	109.5128	0.205	6	109.2485	0.704	41	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.7495	0.904	2	109.6172	0.296	4	109.5128	0.205	6	109.2485	0.704	41	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(N[6]C[6]Ru)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(H)2{1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(N[6]C[6]Ru){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.5860	0.081	6	108.5860	0.006	6	108.5860	0.006	6	109.2485	0.704	41	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:C[5,6]-3:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2	C[6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2{1|C<2>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	107.9125	0.056	2	107.9125	0.003	2	107.9125	0.003	2	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.2198	0.428	4	108.1878	0.159	16	108.1878	0.159	16	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7090	0.055	4	108.1878	0.159	16	108.1878	0.159	16	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.9112	0.132	8	108.1878	0.159	16	108.1878	0.159	16	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5603	0.022	3	108.5603	0.000	3	108.5603	0.000	3	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(N[6]C[6]S)(H)2	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.0660	0.004	2	109.0660	0.000	2	109.0660	0.000	2	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(N[6]C[6]S)(H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6])(N[6]C[6]S)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]N[6]HH){1|O<2>,1|S<4>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	110.0790	0.000	1	110.0790	0.000	1	110.0790	0.000	1	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6,6]N[6]H)	111.6497	1.677	4	111.6497	2.812	4	110.8402	2.536	8	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,2|N<3>,5|H<1>}	H(C[6]C[6,6]N[6]H)	110.0307	1.166	4	110.0307	1.359	4	110.8402	2.536	8	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]HH)(C[6]O[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.2715	0.033	2	109.2715	0.001	2	109.0737	0.060	6	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	109.0140	0.023	2	109.0140	0.001	2	109.0737	0.060	6	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	108.6410	0.000	1	108.6410	0.000	1	109.0737	0.060	6	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	109.2300	0.000	1	109.2300	0.000	1	109.0737	0.060	6	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:S[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(S[6]O[6]O)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]S[6]HH)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6])(S[6]O[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]S[6]HH){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]S[6]H)	109.5205	0.025	2	109.5205	0.001	2	109.5205	0.001	2	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	3:4:4:	4:	N[5,6]-3:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]N[5,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]N[5,6]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6]N[5,6]H)	109.6420	0.022	4	109.6420	0.000	4	109.6420	0.000	4	109.0794	1.492	44	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:3:3:	4:	C[4,6]-3:C[6,6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6,6]-3:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[4,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	H(C[6]C[4,6]C[6,6]H)	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[4,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[4,6]C[6,6]H)	109.8820	0.074	3	109.8820	0.005	3	109.8820	0.005	3	109.7263	0.025	7	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:3:3:	4:	C[6,6]-3:N[6,6]-3:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]N[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.6095	0.057	4	109.6095	0.003	4	109.6095	0.003	4	109.7263	0.025	7	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:C[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2	C[6,6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2{1|C<2>,1|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6,6]C[5,6]C[6])(C[6]C[5,6]HH){1|N<3>,2|C<3>,2|O<2>,3|C<4>,7|H<1>}	H(C[6]C[5,6]C[6,6]H)	107.6370	0.052	2	107.6370	0.003	2	107.6370	0.003	2	108.8100	0.611	35	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]O[6]O)(H)2	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]O[6]O)(H)2{1|N<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2860	0.055	2	109.2860	0.003	2	109.2860	0.003	2	108.8100	0.611	35	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9905	0.012	2	108.9905	0.000	2	108.9905	0.000	2	108.8100	0.611	35	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7745	0.016	2	108.7745	0.000	2	108.7363	0.718	22	108.8100	0.611	35	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Os<9>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.2665	0.596	4	108.7325	0.794	20	108.7363	0.718	22	108.8100	0.611	35	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Ru<9>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8490	0.928	16	108.7325	0.794	20	108.7363	0.718	22	108.8100	0.611	35	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	108.8100	0.611	35	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH){1|C<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6]N[6]H)	109.2740	0.052	2	109.2740	0.003	2	109.4815	0.058	4	108.8100	0.611	35	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]N[6]HH){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	109.6890	0.016	2	109.6890	0.000	2	109.4815	0.058	4	108.8100	0.611	35	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]C[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,8|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.5650	0.014	2	108.5650	0.000	2	108.5650	0.000	2	108.8100	0.611	35	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	110.7345	0.047	2	110.7345	0.002	2	110.7345	0.002	2	109.6510	0.441	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6750	0.214	4	109.6750	0.046	4	109.6750	0.046	4	109.6510	0.441	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.5180	0.187	9	109.5214	0.025	13	109.6399	0.402	17	109.6510	0.441	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]N[6]H)	109.5290	0.074	4	109.5214	0.025	13	109.6399	0.402	17	109.6510	0.441	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]N[6]H)	110.6120	1.604	2	110.6120	2.572	2	109.6399	0.402	17	109.6510	0.441	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]O[6]H)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]O[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]HH)(C[6]C[6]H){1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6]N[6]H)	109.4380	1.189	2	109.4380	1.415	2	109.6399	0.402	17	109.6510	0.441	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]C[6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.5265	0.011	2	108.5265	0.000	2	108.5265	0.000	2	109.6510	0.441	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.7380	0.066	2	109.7380	0.004	2	109.7380	0.004	2	109.6510	0.441	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9745	0.037	2	108.9745	0.001	2	108.9745	0.001	2	107.7280	2.072	4	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	106.4815	0.013	2	106.4815	0.000	2	106.4815	0.000	2	107.7280	2.072	4	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:2:1:	3:4:3:	4:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6])	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6]){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:2:1:	3:4:4:	4:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H){2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]O[6])	106.9170	0.000	1	106.9170	0.000	1	106.9170	0.000	1	106.9170	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:2:1:	4:2:3:	4:	C[6,6a]-3:C[6,6]-3:O-2:H-1:	C[6]-4:O[6,6]-2:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H)	C[6,6](C[6]C[6,6a]HO)(O[6,6]C[6,6])(C[6]C[6]H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]HO)(O[6,6]C[6,6])(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6,6]O)	107.8970	0.000	1	107.8970	0.000	1	107.8970	0.000	1	107.8970	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:2:1:	4:3:4:	4:	C[6,6]-3:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(OH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	107.9930	0.025	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:2:1:	4:3:4:	4:	C[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H)	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]O[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H){4|H<1>,6|C<4>}	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O[6])	107.8820	0.000	1	107.8820	0.000	1	107.8820	0.000	1	107.9930	0.025	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:2:1:	4:4:3:	4:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:3:4:	4:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]C)	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CCH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CCH)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]2C)	108.8377	0.264	10	108.8377	0.070	10	109.1093	0.349	14	108.5386	0.751	29	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CC[6a]O)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CC[6a]O)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]2C)	110.3635	0.019	2	110.3635	0.000	2	109.1093	0.349	14	108.5386	0.751	29	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(COO)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(COO)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]2C)	109.2130	0.011	2	109.2130	0.000	2	109.1093	0.349	14	108.5386	0.751	29	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	109.1100	0.000	1	109.1100	0.000	1	109.2635	0.047	2	108.5386	0.751	29	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	109.4170	0.000	1	109.4170	0.000	1	109.2635	0.047	2	108.5386	0.751	29	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|O<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.7770	0.000	2	107.7770	0.000	2	107.8314	0.212	9	108.5386	0.751	29	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.2670	0.160	3	108.1414	0.042	5	107.8314	0.212	9	108.5386	0.751	29	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.9530	0.000	2	108.1414	0.042	5	107.8314	0.212	9	108.5386	0.751	29	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.1110	0.000	2	107.1110	0.000	2	107.8314	0.212	9	108.5386	0.751	29	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.4453	0.709	3	107.7695	0.755	4	107.7695	0.755	4	108.5386	0.751	29	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.7420	0.000	1	107.7695	0.755	4	107.7695	0.755	4	108.5386	0.751	29	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	107.8458	0.011	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:S[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(S[6]O[6]OO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(S[6]O[6]OO){1|C<2>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	107.8458	0.011	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|F<1>,2|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH){4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.9300	0.089	2	107.8563	0.020	3	107.8563	0.020	3	107.8458	0.011	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH){4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.7090	0.000	1	107.8563	0.020	3	107.8563	0.020	3	107.8458	0.011	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	109.1030	0.000	1	108.4731	0.409	7	108.4940	0.354	8	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	108.1110	0.000	1	108.4731	0.409	7	108.4940	0.354	8	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6,6]C[6a])	108.1710	0.824	3	108.4731	0.409	7	108.4940	0.354	8	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	108.7925	0.298	2	108.4731	0.409	7	108.4940	0.354	8	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6,6]C[6a])	108.6400	0.000	1	108.6400	0.000	1	108.4940	0.354	8	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[5a,6]C[6,6]C[6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6,6]C[6a])	108.3902	0.416	4	108.3902	0.173	4	108.3902	0.173	4	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]C[5a]C[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[5a]C[6])	107.9090	0.000	1	107.7103	0.053	3	107.7103	0.053	3	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]C[5a]C[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[5a]C[6])	107.6110	0.218	2	107.7103	0.053	3	107.7103	0.053	3	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[5a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[5a]C[5a]N[5a])(H)	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[5a])	C[6](C[6,6]C[6,6]C[6])2(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,5|C<4>}	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6]2C[5a])	108.5990	0.017	2	108.5990	0.000	2	108.5990	0.000	2	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6]2C[6a])	107.8680	0.000	1	107.8680	0.000	1	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	108.1729	0.447	9	108.0031	0.304	79	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]2C[6a])	109.6370	0.010	2	108.0031	0.304	79	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	108.3975	0.032	2	108.0031	0.304	79	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	107.7195	0.039	2	108.0031	0.304	79	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]2C[6a])	107.9294	0.472	32	108.0031	0.304	79	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	108.1331	0.548	18	108.0031	0.304	79	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	107.9530	0.000	1	108.0031	0.304	79	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	107.6224	0.372	13	108.0031	0.304	79	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	108.2113	0.064	4	108.5253	0.183	37	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,2|O<2>,3|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	108.3540	0.044	2	108.5253	0.183	37	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	108.6780	0.033	2	108.5253	0.183	37	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	109.0700	0.016	2	108.5253	0.183	37	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	107.5390	0.021	2	108.5253	0.183	37	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	108.6124	0.374	25	108.5253	0.183	37	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6]2C[6a])	108.3624	0.423	7	108.3624	0.179	7	108.1781	0.314	124	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.1460	0.000	1	108.1460	0.000	1	108.1460	0.000	1	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.2230	0.000	1	106.2230	0.000	1	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.6430	0.247	2	108.3528	0.252	21	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.4000	0.000	1	108.3528	0.252	21	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.6722	0.531	4	108.3528	0.252	21	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.1104	0.292	9	108.3528	0.252	21	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.0920	0.000	1	108.3528	0.252	21	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.2190	0.443	2	108.3528	0.252	21	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.7550	1.315	2	108.3528	0.252	21	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<2>,1|O<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.6740	0.000	1	107.9657	1.479	3	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<2>,1|O<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	109.0890	0.000	1	107.9657	1.479	3	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.1340	0.000	1	107.9657	1.479	3	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.4700	1.123	3	107.7852	0.542	23	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.7483	0.403	3	107.7852	0.542	23	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.4350	0.000	1	107.7852	0.542	23	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.0549	0.359	13	107.7852	0.542	23	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.3500	0.103	2	107.7852	0.542	23	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.5550	0.000	1	107.7852	0.542	23	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.7710	0.769	2	107.7710	0.592	2	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.1980	0.000	1	108.2946	0.408	5	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.5687	0.208	4	108.2946	0.408	5	108.0291	0.546	55	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5a]-3:C[6,6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[5a])	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,5|C<4>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6])	107.4090	0.000	1	107.4090	0.000	1	106.9943	0.125	4	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6])	106.8560	0.269	3	106.8560	0.072	3	106.9943	0.125	4	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.6420	0.000	1	107.6420	0.000	1	108.4756	0.366	27	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.2050	0.369	2	108.2050	0.136	2	108.4756	0.366	27	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,6|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	109.0723	0.399	3	109.0723	0.159	3	108.4756	0.366	27	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.1522	0.145	5	108.1813	0.022	6	108.4756	0.366	27	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.3270	0.000	1	108.1813	0.022	6	108.4756	0.366	27	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.2200	0.000	1	108.2200	0.000	1	108.4756	0.366	27	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	109.1355	1.505	2	108.6817	1.751	3	108.4756	0.366	27	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.7740	0.000	1	108.6817	1.751	3	108.4756	0.366	27	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C){1|B<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.2930	0.000	1	108.2930	0.000	1	108.4756	0.366	27	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.7650	0.000	1	107.7650	0.000	1	108.4756	0.366	27	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.4780	0.000	1	108.4780	0.000	1	108.4756	0.366	27	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.5950	0.000	1	108.7103	0.265	8	108.4756	0.366	27	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.8850	0.000	1	108.7103	0.265	8	108.4756	0.366	27	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.8670	0.295	6	108.7103	0.265	8	108.4756	0.366	27	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.4560	0.595	2	108.4560	0.354	2	108.4560	0.354	2	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]N[5,6]C[6a])	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|N<3>}	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]N[5,6]C[6a])	108.8160	0.000	1	108.8160	0.000	1	109.0500	0.110	2	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]N[5,6]C[6a])	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6]N[5,6]C[6a])	109.2840	0.000	1	109.2840	0.000	1	109.0500	0.110	2	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]N[5a,6]C[6,6]C[6a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	H(C[6]N[5a,6]C[6,6]C[6a])	108.9490	0.000	1	108.9490	0.000	1	108.9490	0.000	1	108.1799	0.409	235	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.2310	0.000	1	108.2310	0.000	1	108.2310	0.000	1	107.4615	0.582	4	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH){1|C<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.6280	0.000	1	107.6280	0.000	1	107.6280	0.000	1	107.4615	0.582	4	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	106.4070	0.000	1	106.4070	0.000	1	106.4070	0.000	1	107.4615	0.582	4	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.5800	0.000	1	107.5800	0.000	1	107.5800	0.000	1	107.4615	0.582	4	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6,6]C[6a]H)(C[6]C[6]H){1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	107.8440	0.000	1	107.8440	0.000	1	107.8440	0.000	1	107.9886	0.161	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H){1|Br<1>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.2197	0.285	3	108.2197	0.081	3	108.2197	0.081	3	107.9886	0.161	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6a]N[6]H)(C[6]C[6]H){1|C<4>,1|S<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	107.9886	0.161	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:3:4:	4:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]C)	107.6020	0.000	1	107.6020	0.000	1	107.6020	0.000	1	107.6020	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:2:	4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6])	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]N[6]C)	104.6660	0.000	1	104.6660	0.000	1	104.6660	0.000	1	104.6660	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[5,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6,6]C)	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]2C)	107.6655	0.026	2	107.9398	0.260	6	107.9157	0.212	17	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]2C)	108.5830	0.218	2	107.9398	0.260	6	107.9157	0.212	17	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]2C)	107.5710	0.034	2	107.9398	0.260	6	107.9157	0.212	17	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CCHH)(H){1|O<2>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]2C)	107.2720	0.044	2	107.2720	0.002	2	107.9157	0.212	17	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CH3)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CH3)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]2C)	108.0715	0.254	4	108.0706	0.048	5	107.9157	0.212	17	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CH3)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CH3)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]2C)	108.0670	0.000	1	108.0706	0.048	5	107.9157	0.212	17	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]2C)	108.4135	0.496	2	108.0078	0.302	4	107.9157	0.212	17	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6]C[6])2(CHHO)(H){1|N<3>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]2C)	107.6020	0.034	2	108.0078	0.302	4	107.9157	0.212	17	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]C)	106.4780	0.000	1	106.4780	0.000	1	106.4780	0.000	1	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6,6]C)	108.5750	0.000	1	108.5750	0.000	1	108.4780	0.077	8	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6,6]C)	108.0630	0.000	1	108.0630	0.000	1	108.4780	0.077	8	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C)	108.2130	0.000	1	108.2130	0.000	1	108.4780	0.077	8	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]C)	108.2680	0.000	1	108.5946	0.055	5	108.4780	0.077	8	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]C)	108.6763	0.168	4	108.5946	0.055	5	108.4780	0.077	8	108.0033	0.319	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	3:4:4:	4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]N[6]CH)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]N[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]N[6]C)	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.6270	0.000	1	108.4003	0.535	3	107.7618	2.251	21	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.7870	0.416	2	108.4003	0.535	3	107.7618	2.251	21	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	112.0130	0.000	1	112.0130	0.000	1	107.7618	2.251	21	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.2530	0.000	1	108.0090	0.119	2	107.7618	2.251	21	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.7650	0.000	1	108.0090	0.119	2	107.7618	2.251	21	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.9830	0.000	1	106.9830	0.000	1	107.7618	2.251	21	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.5285	0.644	2	107.2293	1.681	3	107.7618	2.251	21	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.6310	0.000	1	107.2293	1.681	3	107.7618	2.251	21	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.2677	0.207	3	106.7768	1.083	6	107.7618	2.251	21	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.2860	1.373	3	106.7768	1.083	6	107.7618	2.251	21	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.7440	1.254	3	108.7440	1.573	3	107.7618	2.251	21	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>,2|O<2>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.2500	0.000	1	107.1005	1.447	2	107.7618	2.251	21	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.9510	0.000	1	107.1005	1.447	2	107.7618	2.251	21	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6,6]-3:N[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C)	108.7290	0.330	4	108.7290	0.109	4	108.6204	0.141	5	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6,6]-3:N[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C)	108.1860	0.000	1	108.1860	0.000	1	108.6204	0.141	5	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]C[6,6a]C[6,6]C[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6,6]C[6])	107.6320	0.000	1	107.6320	0.000	1	107.6320	0.000	1	107.9160	1.871	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:3:4:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.4590	0.000	1	107.4590	0.000	1	107.4590	0.000	1	107.4590	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	H(C[6]C[6,6]C[6]C)	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	108.1115	0.511	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.6060	0.000	1	107.6060	0.000	1	107.6060	0.000	1	108.1115	0.511	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:2:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1295	0.005	2	109.1295	0.000	2	109.1295	0.000	2	109.0027	0.652	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:2:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2300	0.027	2	109.1633	0.007	4	108.9820	0.705	45	109.0027	0.652	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:2:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0965	0.056	2	109.1633	0.007	4	108.9820	0.705	45	109.0027	0.652	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:2:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	106.0090	0.881	2	107.4805	3.146	4	108.9820	0.705	45	109.0027	0.652	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:2:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9520	0.025	2	107.4805	3.146	4	108.9820	0.705	45	109.0027	0.652	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:2:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9895	0.033	2	109.0523	0.035	19	108.9820	0.705	45	109.0027	0.652	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:2:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0611	0.118	15	109.0523	0.035	19	108.9820	0.705	45	109.0027	0.652	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:2:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0485	0.648	2	109.0523	0.035	19	108.9820	0.705	45	109.0027	0.652	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:2:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.2070	0.008	2	109.2070	0.000	2	108.9820	0.705	45	109.0027	0.652	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:2:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8295	0.054	2	109.2006	0.722	16	108.9820	0.705	45	109.0027	0.652	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:2:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0444	0.932	12	109.2006	0.722	16	108.9820	0.705	45	109.0027	0.652	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:2:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5085	0.009	2	109.2006	0.722	16	108.9820	0.705	45	109.0027	0.652	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:2:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3400	0.017	2	109.3400	0.000	2	109.3400	0.000	2	109.0027	0.652	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:Cl-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(Cl)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]ClH)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(Cl)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]ClH){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6]C[6]Cl)	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.8595	0.011	2	108.8595	0.000	2	108.8595	0.000	2	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1220	0.045	2	109.1220	0.002	2	109.1220	0.002	2	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.3890	0.008	2	108.3890	0.000	2	108.3890	0.000	2	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.0558	0.331	4	109.0558	0.110	4	109.0082	0.071	6	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.9130	0.018	2	108.9130	0.000	2	109.0082	0.071	6	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6]C[6a])(C[6]C[6]HH){1|Pt<4>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.3083	0.306	3	108.3083	0.094	3	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH){1|Cu<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.0960	0.040	3	109.0960	0.002	3	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.1333	0.422	7	109.1333	0.178	7	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9950	0.000	1	108.9950	0.000	1	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6210	0.187	2	109.6210	0.035	2	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6720	0.030	2	109.6720	0.001	2	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6130	0.006	2	109.6130	0.000	2	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	106.4875	0.081	2	108.9344	0.628	23	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Mn<7>,1|C<3>,1|N<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0026	0.102	8	108.9344	0.628	23	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Co<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0270	0.041	2	108.9344	0.628	23	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Fe<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3129	0.116	11	108.9344	0.628	23	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]H)(C[6]C[6]HH){1|Fe<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5030	0.064	2	109.5030	0.004	2	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]N)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0040	0.017	2	109.0040	0.000	2	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0007	0.050	6	109.0122	0.002	8	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0470	0.007	2	109.0122	0.002	8	109.0465	0.364	55	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1725	0.019	2	109.1725	0.000	2	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7665	0.149	4	108.7665	0.022	4	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.7472	0.209	4	108.7472	0.044	4	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9592	0.058	6	108.8835	0.023	11	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7990	0.256	3	108.8835	0.023	11	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7835	0.074	2	108.8835	0.023	11	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.6933	0.109	6	108.6933	0.012	6	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7473	0.089	4	108.7473	0.008	4	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8730	0.046	3	108.8730	0.002	3	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]C)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6980	0.021	2	108.6980	0.000	2	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1637	0.059	4	109.1637	0.003	4	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8466	0.153	8	108.7660	0.026	34	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7412	0.157	26	108.7660	0.026	34	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3923	1.145	4	108.9381	0.127	61	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9764	0.208	57	108.9381	0.127	61	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8278	0.101	4	108.8278	0.010	4	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9657	0.033	3	108.8899	0.009	7	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8330	0.089	4	108.8899	0.009	7	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7505	0.021	2	108.7505	0.000	2	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.2750	0.023	2	109.2750	0.001	2	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4885	0.022	2	109.4885	0.000	2	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4180	0.000	1	109.4180	0.000	1	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1775	0.161	11	109.1775	0.026	11	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3475	0.129	10	109.3475	0.017	10	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2281	0.087	8	109.2281	0.008	8	108.9420	0.088	182	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1230	0.025	2	109.1230	0.001	2	109.0441	0.218	16	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)2{3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8743	0.081	3	108.8743	0.007	3	109.0441	0.218	16	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3470	0.000	1	109.2347	0.012	3	109.0441	0.218	16	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1785	0.069	2	109.2347	0.012	3	109.0441	0.218	16	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1420	0.028	2	109.0480	0.012	4	109.0441	0.218	16	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9540	0.017	2	109.0480	0.012	4	109.0441	0.218	16	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[5a,6]CH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[5a,6]CH)(H)2{1|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.1240	0.035	2	108.1240	0.001	2	109.0441	0.218	16	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8465	0.008	2	109.8465	0.000	2	109.0441	0.218	16	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{7|C<3>}	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,2|O<1>,2|S<2>}	H(C[6]C[6,6]C[6]H)	108.6750	0.006	2	108.6750	0.000	2	108.1698	2.437	4	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	C[6,6](C[6]C[4,4,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6]C[4,4,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.6645	2.508	2	107.6645	6.291	2	108.1698	2.437	4	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]CC)(H)2	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|S<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8152	0.061	6	108.8152	0.004	6	109.1293	0.167	10	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6005	0.034	4	109.6005	0.001	4	109.1293	0.167	10	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]CC)(H)2	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.2565	0.009	4	109.2565	0.000	4	109.2669	0.002	8	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2772	0.061	4	109.2772	0.004	4	109.2669	0.002	8	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7175	0.013	4	108.7175	0.000	4	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.9475	0.288	4	108.8138	0.061	9	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8057	0.134	3	108.8138	0.061	9	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	108.5585	0.056	2	108.8138	0.061	9	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9010	0.024	2	108.8703	0.005	10	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8242	0.041	6	108.8703	0.005	10	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9780	0.006	2	108.8703	0.005	10	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0745	0.016	4	109.0745	0.000	4	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.1704	1.057	8	108.7471	0.348	34	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9245	0.084	26	108.7471	0.348	34	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9535	0.042	2	108.9961	0.022	16	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0021	0.157	14	108.9961	0.022	16	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.1635	0.042	2	108.9148	0.057	6	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,2|O<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9460	0.021	2	108.9148	0.057	6	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6350	0.055	2	108.9148	0.057	6	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.3835	0.032	2	109.3618	0.001	4	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.3400	0.027	2	109.3618	0.001	4	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3937	0.160	4	109.3937	0.026	4	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.4050	1.528	8	108.7969	1.482	14	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3195	0.113	6	108.7969	1.482	14	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1355	0.018	2	109.1355	0.000	2	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.2523	0.024	4	109.3723	0.025	7	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5323	0.089	3	109.3723	0.025	7	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7765	0.016	2	109.2630	0.092	8	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3605	0.015	2	109.2630	0.092	8	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4625	0.018	2	109.2630	0.092	8	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4525	0.033	2	109.2630	0.092	8	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]HH)(H)2	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7207	0.118	4	109.7207	0.014	4	108.9608	0.328	126	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9470	0.102	2	108.9470	0.010	2	108.9470	0.010	2	108.9679	0.226	417	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	111.4770	1.321	2	111.4770	1.745	2	111.4770	1.745	2	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.1107	0.151	6	110.1107	0.023	6	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3655	0.025	2	109.3655	0.001	2	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4325	0.028	2	109.4325	0.001	2	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(O[6]C[6]){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7190	0.092	3	109.7190	0.009	3	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6150	0.006	2	109.3061	0.882	12	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.1238	1.127	8	109.3061	0.882	12	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|W<6>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.7265	0.011	2	109.3061	0.882	12	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.9886	0.167	8	108.9837	0.019	18	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9797	0.120	10	108.9837	0.019	18	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0035	0.138	4	109.0035	0.019	4	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,1|O<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.6245	0.018	2	108.6245	0.000	2	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8350	0.010	2	108.8350	0.000	2	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6893	0.280	4	109.0754	0.024	116	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9165	0.078	4	109.0754	0.024	116	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1655	0.061	4	109.0754	0.024	116	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0520	0.062	4	109.0754	0.024	116	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9943	0.075	7	109.0754	0.024	116	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1021	0.134	93	109.0754	0.024	116	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8440	0.004	2	109.1159	0.193	70	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7870	0.251	6	109.1159	0.193	70	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.2530	0.000	1	109.1159	0.193	70	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8510	0.000	1	109.1159	0.193	70	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9820	0.027	2	109.1159	0.193	70	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0743	0.086	4	109.1159	0.193	70	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4410	1.064	10	109.1159	0.193	70	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9650	0.008	2	109.1159	0.193	70	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1164	0.137	40	109.1159	0.193	70	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1715	0.012	2	109.1159	0.193	70	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6]C[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2670	0.058	2	109.2670	0.003	2	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.3770	0.004	2	109.3770	0.000	2	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[3x6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[3x6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4403	0.113	3	109.4403	0.013	3	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6535	0.018	2	109.4513	0.056	4	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2490	0.071	2	109.4513	0.056	4	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1515	0.035	2	109.2982	0.029	4	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4450	0.016	2	109.2982	0.029	4	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	106.8910	0.069	2	106.8910	0.005	2	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4010	0.033	2	109.3295	0.007	4	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2580	0.031	2	109.3295	0.007	4	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3x6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3x6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2170	0.008	2	109.2170	0.000	2	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2030	0.018	2	109.4168	0.020	31	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4168	0.073	6	109.4168	0.020	31	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2625	0.016	2	109.4168	0.020	31	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3280	0.131	9	109.4168	0.020	31	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5448	0.051	12	109.4168	0.020	31	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3895	0.006	2	109.5255	0.006	21	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5318	0.070	17	109.5255	0.006	21	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6080	0.008	2	109.5255	0.006	21	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{2|C<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.1275	0.018	2	109.1275	0.000	2	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9890	0.006	2	108.9890	0.000	2	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.4715	0.012	2	109.4715	0.000	2	109.1820	0.166	318	109.1963	0.204	320	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6,6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(H)2	C[6,6](C[6]C[6a]O[6])(C[6]C[6,6]HH)(C[6,6]C[6]2)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(H)2{2|H<1>,2|O<1>,2|O<2>,4|C<3>}	C[6,6](C[6]C[6a]O[6])(C[6]C[6,6]HH)(C[6,6]C[6]2){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6]2H)	109.7680	0.006	2	109.7680	0.000	2	109.7680	0.000	2	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6363	0.064	4	109.6363	0.004	4	109.6363	0.004	4	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|Mo<10>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.6430	2.012	2	107.6430	4.050	2	107.6430	4.050	2	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4340	0.011	2	109.4340	0.000	2	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.8360	0.000	1	109.8360	0.000	1	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8320	0.033	2	109.8320	0.001	2	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3410	0.045	2	109.1540	0.048	4	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9670	0.025	2	109.1540	0.048	4	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.0585	0.052	2	108.8186	1.323	5	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.9920	0.289	3	108.8186	1.323	5	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<2>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.0090	0.018	2	110.0200	0.001	3	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.0420	0.000	1	110.0200	0.001	3	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]C){3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5780	0.021	2	109.5780	0.000	2	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2170	0.042	3	108.2170	0.002	3	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.7870	0.044	2	109.9447	0.034	4	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	110.1025	0.011	2	109.9447	0.034	4	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.7578	0.074	8	108.7578	0.005	8	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4947	0.189	6	109.5098	0.064	10	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8460	0.065	2	109.5098	0.064	10	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2190	0.028	2	109.5098	0.064	10	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|Br<1>,1|C<3>,3|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]O[6]O){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.0785	0.069	2	109.0785	0.005	2	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.8143	0.160	3	109.8143	0.026	3	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.9288	0.169	5	109.9288	0.029	5	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.6600	0.014	2	109.6600	0.000	2	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8820	0.000	1	108.8820	0.000	1	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7980	0.042	2	109.7922	0.001	4	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Se<2>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7865	0.028	2	109.7922	0.001	4	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6527	0.052	4	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|C<4>,1|O<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4365	0.031	4	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2152	0.183	4	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6490	0.000	1	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7525	0.030	2	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Li<4>,1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5447	0.984	4	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Mg<5>,1|C<4>,1|N<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3490	0.346	4	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5880	0.057	2	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8875	0.165	4	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6760	0.103	4	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Mg<5>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7410	0.381	4	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4095	0.009	2	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2552	0.119	4	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2480	0.052	2	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9769	0.374	17	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9175	0.006	2	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0937	0.221	9	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3231	0.250	8	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4237	0.094	12	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9080	0.098	2	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9925	0.016	2	109.1076	0.185	97	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1870	0.020	2	109.1870	0.000	2	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.3870	1.546	2	108.3870	2.389	2	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5560	0.033	2	109.5560	0.001	2	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){2|Ru<5>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4460	0.066	2	109.4460	0.004	2	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2620	0.069	4	109.2620	0.005	4	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HP)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HP)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6000	0.006	2	109.6000	0.000	2	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6030	0.014	2	109.6030	0.000	2	109.2215	0.274	174	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9607	0.031	4	108.9784	0.008	26	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9983	0.080	20	108.9784	0.008	26	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8145	0.030	2	108.9784	0.008	26	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0395	0.147	4	109.1136	0.018	8	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1878	0.073	4	109.1136	0.018	8	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9460	0.018	2	109.2005	0.495	20	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4495	0.036	2	109.2005	0.495	20	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4342	0.125	4	109.2005	0.495	20	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1235	0.895	12	109.2005	0.495	20	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Ir)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Ir){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.4025	0.015	2	108.4025	0.000	2	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Li)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Li<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Li){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.1740	0.666	4	108.1740	0.444	4	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8827	0.062	3	108.8827	0.004	3	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O){2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3690	0.014	2	109.3690	0.000	2	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2755	0.015	2	109.2755	0.000	2	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]CH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.8550	0.027	2	109.8550	0.001	2	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]S[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]S[6]C){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.6475	0.025	2	109.6475	0.001	2	109.0535	0.257	71	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]2O[6])(H)2	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]2O[6])(H)2{1|B<4>,1|H<1>,6|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.3625	0.026	2	108.3625	0.001	2	108.8531	0.065	17	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]C)(H)2	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]C)(H)2{1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8575	0.009	2	108.8575	0.000	2	108.8531	0.065	17	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0760	0.100	5	108.9769	0.035	7	108.8531	0.065	17	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.7290	0.010	2	108.9769	0.035	7	108.8531	0.065	17	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]CH)(H)2	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]CH)(H)2{1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6080	0.014	2	108.6080	0.000	2	108.8531	0.065	17	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]HH)(H)2	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]HH)(H)2{1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0020	0.102	4	109.0020	0.010	4	108.8531	0.065	17	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2175	0.004	4	109.2175	0.000	4	109.3732	0.058	6	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]HH)(H)2	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6845	0.009	2	109.6845	0.000	2	109.3732	0.058	6	109.1574	0.292	276	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.4587	0.451	3	108.4587	0.203	3	108.4587	0.203	3	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]2)(H)2{4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	110.1165	1.320	2	110.1165	1.743	2	110.1165	1.743	2	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH){1|B<3>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3103	0.053	7	109.3103	0.003	7	109.3103	0.003	7	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HO)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3580	0.016	2	109.3580	0.000	2	109.3580	0.000	2	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1200	0.049	8	109.1200	0.002	8	109.0739	0.021	9	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7050	0.000	1	108.7050	0.000	1	109.0739	0.021	9	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]P[5])(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]P[5])(C[6,6]C[6]2H)(C[6]C[6]HH){1|B<4>,1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6]2H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	107.7775	0.006	2	107.7775	0.000	2	108.7867	0.926	22	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2860	0.027	2	109.2860	0.001	2	108.7867	0.926	22	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{3|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.4715	0.128	2	109.4715	0.016	2	108.7867	0.926	22	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.4725	0.050	2	108.5543	0.005	6	108.7867	0.926	22	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.5952	0.027	4	108.5543	0.005	6	108.7867	0.926	22	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	108.8650	0.047	2	109.1330	0.469	4	108.7867	0.926	22	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<2>,3|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	109.4010	1.058	2	109.1330	0.469	4	108.7867	0.926	22	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.8980	0.031	2	109.8980	0.001	2	108.7867	0.926	22	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.1395	0.105	2	109.1395	0.011	2	108.7867	0.926	22	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	107.1520	2.374	2	107.1520	5.638	2	108.7867	0.926	22	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]CC)(H)2	C[6,6](C[6,6]C[4x6]O[6])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[4x6]O[6])(C[6]C[6]HH)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	110.2995	2.255	2	110.2995	5.085	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{7|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5245	1.051	2	109.5245	1.106	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9510	0.790	3	108.9510	0.623	3	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0105	0.018	2	109.6835	4.676	4	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.3565	3.495	2	109.6835	4.676	4	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.6620	0.016	2	108.6620	0.000	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6215	0.022	2	108.6215	0.000	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9073	0.101	4	108.9073	0.010	4	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1040	0.035	2	109.1040	0.001	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[3,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[3,6]HH)(C[6]C[6]HH){3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3910	0.000	1	109.3910	0.000	1	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]HH){1|Br<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1405	0.015	2	109.1405	0.000	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9340	0.000	1	108.9340	0.000	1	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.9960	1.557	2	109.9960	2.424	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CO)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.8963	0.071	3	109.8963	0.005	3	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5956	0.670	15	109.5956	0.449	15	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4525	0.019	2	109.4525	0.000	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]S[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]S[6]HH){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1885	0.026	2	109.1885	0.001	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.4230	0.000	1	109.4230	0.000	1	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH){4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.3167	0.147	4	109.3167	0.022	4	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]N[5,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]N[5,6]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0772	0.323	4	109.0772	0.105	4	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3185	0.005	2	109.3185	0.000	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.1820	0.052	2	109.1820	0.003	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	106.4100	1.878	2	107.8170	2.576	5	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7550	0.298	3	107.8170	2.576	5	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[4x6]O[6])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[4x6]O[6])(C[6]C[6]HH)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	110.0725	2.939	2	110.0725	8.640	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0870	0.140	3	109.0870	0.020	3	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9615	0.037	2	108.9615	0.001	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3190	0.000	1	109.3190	0.000	1	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.4550	0.154	4	109.4550	0.024	4	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]N[6]CH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]N[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7780	0.008	2	109.7780	0.000	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2220	0.028	2	109.1065	0.018	4	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9910	0.020	2	109.1065	0.018	4	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9885	0.022	2	108.9472	0.004	6	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9265	0.064	4	108.9472	0.004	6	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2{1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0000	0.090	3	109.0000	0.008	3	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2020	0.000	1	109.2020	0.000	1	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HS)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HS)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH){1|S<4>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8735	0.030	2	108.8735	0.001	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.7452	0.139	4	108.7452	0.019	4	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]O)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]O)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9035	0.076	2	108.9035	0.006	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3120	0.081	12	109.3120	0.007	12	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1595	0.047	2	109.1595	0.002	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9945	0.019	2	108.9945	0.000	2	109.2197	0.635	119	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	3:4:4:	4:	C[6,6]-3:N[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	109.2210	0.011	2	109.2210	0.000	2	109.2210	0.000	2	109.1636	0.632	167	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[3,6]C[3,6]C[6a]C[3])(C[6,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3,6]C[3,6]C[6a]C[3])(C[6,6]C[6]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9540	0.014	2	108.9540	0.000	2	108.9540	0.000	2	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8850	0.027	2	108.8850	0.001	2	109.1542	0.050	10	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.4050	0.006	2	109.1640	0.037	6	109.1542	0.050	10	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0435	0.057	4	109.1640	0.037	6	109.1542	0.050	10	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6])(C[6]O[6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]O[6]HH)(H)2{2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3940	0.011	2	109.3940	0.000	2	109.1542	0.050	10	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.2770	0.138	3	109.2770	0.019	3	109.2770	0.019	3	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8410	0.024	2	108.8410	0.001	2	108.8410	0.001	2	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5a]O[6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5a]O[6]H)(H)2{3|C<3>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8300	0.000	1	109.8300	0.000	1	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8745	0.023	2	108.4323	0.442	23	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.3902	0.682	21	108.4323	0.442	23	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.2870	0.058	4	109.2870	0.003	4	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4795	0.008	2	109.3423	0.025	4	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2050	0.018	2	109.3423	0.025	4	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<2>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.7985	0.012	4	109.7985	0.000	4	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|C<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	109.8270	0.008	2	109.8270	0.000	2	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.2820	0.151	2	109.2820	0.023	2	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5080	0.024	2	109.5080	0.001	2	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.9950	0.025	2	108.6267	0.234	7	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8137	0.259	4	108.6267	0.234	7	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<3>,2|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1420	0.000	1	108.6267	0.234	7	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8590	0.016	2	108.8590	0.000	2	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2625	0.039	2	109.2625	0.002	2	108.8934	0.486	53	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,5,6]HO)(H)2	C[6,6](C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,5,6]HO)(H)2{1|O<2>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){2|O<2>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.0550	0.066	5	109.0550	0.004	5	108.9578	0.045	13	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9158	0.107	4	108.7968	0.041	6	108.9578	0.045	13	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){6|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.5590	0.030	2	108.7968	0.041	6	108.9578	0.045	13	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.1980	0.014	2	109.1980	0.000	2	108.9578	0.045	13	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8890	0.051	3	108.8890	0.003	3	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.9070	0.052	2	108.5698	4.022	6	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<2>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	106.7085	3.006	2	108.5698	4.022	6	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0940	0.126	2	108.5698	4.022	6	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	107.9995	0.634	20	107.9995	0.402	20	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.5335	0.045	2	108.4567	0.009	4	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.3800	0.031	2	108.4567	0.009	4	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	111.2825	2.370	2	111.2825	5.615	2	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0970	0.030	2	109.0970	0.001	2	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[3x6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9057	0.210	3	108.9057	0.044	3	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.7990	0.048	8	108.7708	0.060	17	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){2|O<2>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0780	0.000	1	108.7708	0.060	17	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,9|H<1>}	H(C[6]C[6,6]C[6]H)	108.8812	0.157	4	108.7708	0.060	17	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.8755	0.013	2	108.7708	0.060	17	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.1785	0.057	2	108.7708	0.060	17	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.4955	0.217	4	108.4955	0.047	4	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.1910	0.000	1	109.1910	0.000	1	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]N[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0825	0.008	2	109.0825	0.000	2	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]O[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]CH)(H)2{1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4145	0.013	2	109.4145	0.000	2	108.6159	0.923	66	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9390	3.114	2	108.9390	9.698	2	109.1160	1.478	25	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|N<3>,1|S<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0735	0.084	2	109.0735	0.007	2	109.1160	1.478	25	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6955	0.026	2	109.6955	0.001	2	109.1160	1.478	25	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6]C[6]HH){1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.4330	0.017	2	108.4330	0.000	2	109.1160	1.478	25	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]B[5])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|B<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]B[5])(C[6]C[6]HH){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4540	0.000	1	109.4540	0.000	1	109.1160	1.478	25	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.8160	1.161	2	108.9748	7.462	4	109.1160	1.478	25	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	107.1335	2.734	2	108.9748	7.462	4	109.1160	1.478	25	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]Br)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]Br)(C[6]C[6]HH){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	108.4405	0.070	2	108.4405	0.005	2	109.1160	1.478	25	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2980	0.023	2	109.3815	0.010	4	109.1160	1.478	25	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4650	0.023	2	109.3815	0.010	4	109.1160	1.478	25	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]P[5])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]P[5])(C[6]C[6]HH){1|B<4>,1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1845	0.012	2	109.1845	0.000	2	109.1160	1.478	25	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3880	0.058	2	109.3880	0.003	2	109.1160	1.478	25	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3570	0.020	2	109.3570	0.000	2	109.1160	1.478	25	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4980	0.074	2	109.4980	0.005	2	109.1086	0.086	28	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3710	0.000	1	109.3710	0.000	1	109.1086	0.086	28	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6400	0.030	4	108.6400	0.001	4	109.1086	0.086	28	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.4425	0.012	2	109.4425	0.000	2	109.1086	0.086	28	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2910	0.013	2	109.2910	0.000	2	109.1086	0.086	28	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0370	0.010	2	109.2167	0.035	6	109.1086	0.086	28	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.1715	0.013	2	109.2167	0.035	6	109.1086	0.086	28	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	109.4415	0.053	2	109.2167	0.035	6	109.1086	0.086	28	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6a]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.0730	0.063	3	109.0730	0.004	3	109.1086	0.086	28	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8800	0.000	1	108.8800	0.000	1	109.1086	0.086	28	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6]P[4,6]AlSi)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Al<4>,1|Si<4>,1|P<3>,2|C<4>,2|H<1>}	C[6,6](C[6]P[4,6]AlSi)(C[6,6]C[6]2)(C[6]C[6]HH){1|Si<4>,1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.8723	0.248	4	108.8723	0.062	4	109.1086	0.086	28	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2440	0.023	2	109.2440	0.001	2	109.1086	0.086	28	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|H<1>,3|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.2700	0.000	1	109.2700	0.000	1	109.1086	0.086	28	108.8829	0.661	202	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.3970	0.030	2	109.3970	0.001	2	109.3158	0.004	6	109.3158	0.004	6	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:2:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]N[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]N[6]){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2752	0.019	4	109.2752	0.000	4	109.3158	0.004	6	109.3158	0.004	6	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:B[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2C[6])(H)2{3|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]B[6]HH)(C[6]C[6]H){1|P<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]B[6]H)	109.9250	0.052	2	109.9250	0.003	2	109.9250	0.003	2	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6,6]-3:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6,6])(C[5,6]O[5]2O[6])(H)2	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[6]C[5,6]HH)(C[6,6]C[6]2)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,3x6]C[6,6])(C[5,6]O[5]2O[6])(H)2{1|N<3>,6|C<4>}	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[6]C[5,6]HH)(C[6,6]C[6]2){2|C<3>,3|C<4>,4|O<2>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.1315	0.304	6	109.1315	0.092	6	109.1315	0.092	6	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{3|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){3|C<4>,3|O<2>,7|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.4510	0.045	2	109.4510	0.002	2	109.2078	0.080	4	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{3|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){3|C<4>,3|O<2>,7|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.9645	0.012	2	108.9645	0.000	2	109.2078	0.080	4	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(F)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]FH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]F)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]FH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]F)	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.5490	1.450	2	109.5490	2.101	2	109.3596	0.498	19	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.9590	0.087	3	108.8930	0.009	7	109.3596	0.498	19	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8435	0.076	4	108.8930	0.009	7	109.3596	0.498	19	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0730	0.014	2	109.6492	0.240	4	109.3596	0.498	19	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2255	0.039	2	109.6492	0.240	4	109.3596	0.498	19	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HO)(H)2{2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6455	0.028	2	108.6455	0.001	2	109.3596	0.498	19	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(H)2	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<2>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	110.1490	0.464	4	110.1490	0.215	4	109.3596	0.498	19	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]N[6])(C[6]C[6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]N[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.0975	0.052	2	108.0975	0.003	2	108.0975	0.003	2	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.2845	0.011	2	109.0823	0.055	4	109.0823	0.055	4	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8800	0.011	2	109.0823	0.055	4	109.0823	0.055	4	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3015	0.008	2	109.3015	0.000	2	109.3503	0.003	4	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]C){2|C<4>,2|O<2>,8|H<1>}	H(C[6]C[6,6]C[6]H)	109.3990	0.008	2	109.3990	0.000	2	109.3503	0.003	4	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9635	0.021	2	108.9635	0.000	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|Fe<10>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]H){1|Fe<10>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6705	0.712	2	109.6705	0.507	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6210	0.035	2	108.6210	0.001	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.3360	0.008	2	108.3360	0.000	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.5695	0.120	2	108.5695	0.014	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9085	0.018	2	108.9085	0.000	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5245	0.286	4	109.5245	0.082	4	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1970	0.017	2	109.1970	0.000	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]Cl)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]Cl){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3675	0.009	2	109.3675	0.000	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9976	0.217	11	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0850	0.062	3	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0187	0.032	4	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9873	0.182	6	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.4645	0.012	2	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9929	0.601	109	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0595	0.507	4	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2258	1.008	14	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7164	2.165	45	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	105.2280	6.025	2	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4915	0.098	4	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5577	0.100	4	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2514	0.234	11	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5200	0.027	2	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3135	0.029	2	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2990	0.021	2	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3050	0.068	2	109.1688	1.536	227	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0018	0.023	4	109.0018	0.001	4	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6338	0.393	6	108.9262	0.637	66	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.0465	0.050	2	108.9262	0.637	66	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8163	1.072	31	108.9262	0.637	66	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4845	0.012	2	108.9262	0.637	66	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9700	0.017	2	108.9262	0.637	66	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9470	0.212	9	108.9262	0.637	66	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0356	0.152	14	108.9262	0.637	66	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(C[6]C[6]N)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|N<2>}	C[6,6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.6430	0.024	2	109.6430	0.001	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6220	0.385	2	108.6220	0.148	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HS)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HS)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1908	0.189	10	109.1908	0.036	10	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8217	0.167	6	108.8217	0.028	6	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2345	0.011	2	109.2345	0.000	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5365	0.541	2	108.7644	1.406	14	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6248	2.316	4	108.7644	1.406	14	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8065	0.011	2	108.7644	1.406	14	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5862	0.293	6	108.7644	1.406	14	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]O[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	112.1460	1.851	2	112.1460	3.427	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	111.9090	5.022	2	111.9090	25.219	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8960	0.095	4	108.8960	0.009	4	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2220	0.000	1	109.1994	0.117	5	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8565	0.062	2	109.1994	0.117	5	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.5310	0.082	2	109.1994	0.117	5	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9680	0.006	2	108.9654	0.103	14	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1850	0.008	2	108.9654	0.103	14	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.4110	0.192	3	108.9654	0.103	14	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1027	0.033	3	108.9654	0.103	14	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1672	0.095	4	108.9654	0.103	14	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3770	0.028	2	109.4765	0.024	13	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4945	0.162	11	109.4765	0.024	13	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.9885	0.094	4	108.9885	0.009	4	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.9165	0.695	2	109.4822	0.211	6	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2650	0.040	4	109.4822	0.211	6	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0705	0.008	2	109.2137	0.026	7	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1330	0.000	1	109.2137	0.026	7	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.3055	0.155	4	109.2137	0.026	7	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.4140	0.018	2	109.5287	0.111	7	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.0060	0.000	1	109.5287	0.111	7	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7805	0.011	2	109.5287	0.111	7	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1530	0.048	2	109.5287	0.111	7	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]N[6]Zr)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Zr<7>,1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]N[6]Zr)(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4668	0.131	4	109.4668	0.017	4	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.0370	0.014	2	110.0370	0.000	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0175	0.012	2	109.2240	0.184	20	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.6260	0.156	4	109.2240	0.184	20	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.7180	0.059	7	109.2240	0.184	20	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1360	0.000	1	109.2240	0.184	20	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.1785	0.021	2	109.2240	0.184	20	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	109.1055	0.190	4	109.2240	0.184	20	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8110	0.040	2	108.8110	0.002	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.8075	0.013	2	109.3618	0.136	16	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6600	0.031	2	109.3618	0.136	16	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0180	0.000	1	109.3618	0.136	16	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4770	0.007	2	109.3618	0.136	16	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0225	0.026	2	109.3618	0.136	16	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5481	0.323	7	109.3618	0.136	16	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]P)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]P){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	110.3965	0.013	2	110.3965	0.000	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C){2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.4660	0.011	2	109.4660	0.000	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0985	0.032	2	109.0985	0.001	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6]Zr)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Zr<11>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]Zr)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|C<5>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.2405	1.016	2	110.2405	1.032	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5102	0.062	6	109.4007	0.086	15	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0316	0.133	5	109.4007	0.086	15	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<4>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6977	0.046	4	109.4007	0.086	15	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.7575	1.200	2	109.7575	1.440	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0300	0.027	2	109.2545	0.072	237	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.0785	0.045	2	109.2545	0.072	237	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1820	0.058	2	109.2545	0.072	237	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.0990	0.112	2	109.2545	0.072	237	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2570	0.276	218	109.2545	0.072	237	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.3206	0.050	11	109.2545	0.072	237	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.8805	0.005	2	109.7638	0.018	4	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.6470	0.024	2	109.7638	0.018	4	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2{3|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	108.8582	0.330	4	109.0772	0.181	6	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2{3|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<4>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.5150	0.059	2	109.0772	0.181	6	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|C<2>,1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.3720	0.016	2	109.5478	0.909	4	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7235	0.091	2	109.5478	0.909	4	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.1720	0.037	4	109.1720	0.001	4	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.7465	0.101	4	109.7465	0.010	4	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.6890	0.021	2	109.6890	0.000	2	109.2124	0.715	747	109.2149	0.694	790	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:1:1:	4:4:4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	109.0450	0.035	2	109.0450	0.001	2	109.0450	0.001	2	109.0450	0.001	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HO){2|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HO)(O[6]C[6])	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HO)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.0740	0.000	1	109.0740	0.000	1	108.8145	0.135	2	108.8145	0.135	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:2:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[5,6])	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[5,6]){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.5550	0.000	1	108.5550	0.000	1	108.8145	0.135	2	108.8145	0.135	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.7560	0.000	1	109.7560	0.000	1	108.3148	0.557	10	108.3148	0.557	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.8330	0.000	1	108.8330	0.000	1	108.3148	0.557	10	108.3148	0.557	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]O[6]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]O[6]O){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.5650	0.000	1	107.5650	0.000	1	108.3148	0.557	10	108.3148	0.557	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.2060	0.000	1	109.2060	0.000	1	108.3148	0.557	10	108.3148	0.557	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]O)	107.6540	0.000	1	107.8980	0.110	5	108.3148	0.557	10	108.3148	0.557	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]O)	107.9590	0.349	4	107.8980	0.110	5	108.3148	0.557	10	108.3148	0.557	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.2980	0.000	1	108.2980	0.000	1	108.3148	0.557	10	108.3148	0.557	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[4,6,6]-3:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[5,6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[4,6,6]C[5,6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[4,6,6]C[4,6,6]C[4,6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HO){1|O<1>,1|O<2>,2|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	108.3851	0.860	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	106.5440	0.000	1	106.5440	0.000	1	108.4932	0.835	9	108.3851	0.860	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	109.3790	0.000	1	109.2515	0.033	2	108.4932	0.835	9	108.3851	0.860	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	109.1240	0.000	1	109.2515	0.033	2	108.4932	0.835	9	108.3851	0.860	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.5590	0.000	1	107.5590	0.000	1	108.4932	0.835	9	108.3851	0.860	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	108.9605	0.015	2	108.9750	0.001	3	108.4932	0.835	9	108.3851	0.860	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.0040	0.000	1	108.9750	0.001	3	108.4932	0.835	9	108.3851	0.860	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HO){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.2010	0.000	1	108.2010	0.000	1	108.4932	0.835	9	108.3851	0.860	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.7070	0.000	1	108.7070	0.000	1	108.4932	0.835	9	108.3851	0.860	10	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HO)(OH)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	107.9386	0.318	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.1960	0.000	1	108.6320	0.380	2	108.1716	0.614	5	107.9386	0.318	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){2|H<1>,2|O<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	109.0680	0.000	1	108.6320	0.380	2	108.1716	0.614	5	107.9386	0.318	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.7940	0.000	1	108.7940	0.000	1	108.1716	0.614	5	107.9386	0.318	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO){1|O<1>,4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	107.4000	0.270	2	107.4000	0.073	2	108.1716	0.614	5	107.9386	0.318	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H){7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.0350	0.000	1	108.0350	0.000	1	107.6997	0.105	3	107.9386	0.318	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,5|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]O)	107.3890	0.000	1	107.5320	0.041	2	107.6997	0.105	3	107.9386	0.318	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){6|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]O)	107.6750	0.000	1	107.5320	0.041	2	107.6997	0.105	3	107.9386	0.318	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1	107.9386	0.318	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O)	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	107.9386	0.318	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]H){4|H<1>,6|C<4>}	H(C[6]C[5,6]C[6,6]O)	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	107.3150	0.700	2	108.0355	0.859	4	108.6442	1.955	25	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.7560	0.106	2	108.0355	0.859	4	108.6442	1.955	25	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	106.0558	0.419	4	106.0558	0.176	4	108.6442	1.955	25	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H){1|C<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	109.1270	0.000	1	109.1270	0.000	1	108.6442	1.955	25	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	108.3620	0.000	1	108.3620	0.000	1	108.6442	1.955	25	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	108.9360	0.000	1	109.8080	0.338	4	108.6442	1.955	25	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.0820	0.000	1	109.8080	0.338	4	108.6442	1.955	25	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	110.1070	0.000	2	109.8080	0.338	4	108.6442	1.955	25	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HO)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	109.7346	0.080	5	109.7346	0.006	5	108.6442	1.955	25	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.8600	0.037	2	108.6067	0.193	3	108.6442	1.955	25	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	108.1000	0.000	1	108.6067	0.193	3	108.6442	1.955	25	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	109.8520	0.000	1	109.8520	0.000	1	108.6442	1.955	25	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.3370	0.000	2	109.3370	0.000	2	108.6442	1.955	25	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6,6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)	H(C[6]C[6,6]C[6]O[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]O[6])	110.8115	4.519	2	110.8115	20.422	2	110.8115	20.422	2	108.7775	2.837	28	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]CH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]CH){1|Cd<5>,1|N<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.4100	0.000	1	107.4100	0.000	1	107.4100	0.000	1	107.4100	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<2>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.4760	0.000	1	106.2155	0.136	2	106.2155	0.136	2	104.6120	19.189	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O){2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	105.9550	0.000	1	106.2155	0.136	2	106.2155	0.136	2	104.6120	19.189	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]N)	106.7550	0.000	1	106.7550	0.000	1	106.7550	0.000	1	104.6120	19.189	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:O-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(OAl2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(OAl2)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]O)	107.0640	0.000	1	101.9369	52.574	2	101.9369	52.574	2	104.6120	19.189	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:O-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(OAl2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(OAl2)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]O)	96.8098	0.000	1	101.9369	52.574	2	101.9369	52.574	2	104.6120	19.189	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:N-3:H-1:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]N)	106.2635	0.272	4	106.2635	0.074	4	106.2635	0.074	4	106.4913	0.167	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:N[5]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]N[5]H)(C[6]O[6]CC)	H(C[6]C[6,6]C[6]N[5])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H){2|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]N[5]H)(C[6]O[6]CC){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]N[5])	107.4340	0.000	1	107.4340	0.000	1	107.4340	0.000	1	106.4913	0.167	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[3x6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H){1|B<3>,2|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH){1|B<3>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]N[6])	106.4835	0.077	4	106.4835	0.006	4	106.4835	0.006	4	106.4913	0.167	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|Cl<1>,1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.2140	0.236	2	108.2140	0.056	2	108.2140	0.056	2	108.2140	0.056	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(CCO)(H)	C[6,6](C[5,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(CCO)(H){1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]O[6])(C[6]C[6]CH){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	106.5453	2.716	3	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){1|O<2>,2|C<3>,5|C<4>,7|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.7210	0.000	1	105.5965	0.031	2	105.5965	0.031	2	106.5453	2.716	3	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){3|C<3>,4|C<4>,7|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.4720	0.000	1	105.5965	0.031	2	105.5965	0.031	2	106.5453	2.716	3	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCC)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	107.1220	0.000	1	107.1220	0.000	1	107.1220	0.000	1	107.1733	0.032	3	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HN)(C[6]C[6]H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HN)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]N)	107.1990	0.246	2	107.1990	0.061	2	107.1990	0.061	2	107.1733	0.032	3	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]CH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]C)	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	107.7806	0.926	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[3,6]O)(C[6]C[6]2H)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[3,6]O)(C[6]C[6]2H){1|C<3>,3|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]2)	108.9275	1.641	2	108.9275	2.694	2	108.9275	2.694	2	107.7806	0.926	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]2)	108.1975	0.108	2	108.1975	0.012	2	108.1975	0.012	2	107.7806	0.926	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HN)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HN){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]N)	107.1070	0.000	1	107.1070	0.000	1	107.1070	0.000	1	107.7806	0.926	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:N-4:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NMnCH)(H)	C[6,6](N[6]C[6,6]Mn)(C[6,6]C[6]2)(C[6]C[6]HN)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NMnCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](N[6]C[6,6]Mn)(C[6,6]C[6]2)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]N)	107.3560	0.237	4	107.3560	0.056	4	107.3560	0.056	4	107.7806	0.926	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:3:4:	4:	C[6,6]-3:C[6]-4:P-4:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(PC[6a]2O)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP)	H(C[6]C[6,6]C[6]P)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(PC[6a]2O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]P)	106.4160	0.000	1	106.4160	0.000	1	106.4160	0.000	1	107.7806	0.926	11	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[3x6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.3090	0.304	2	108.3090	0.092	2	108.2935	0.077	4	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[3x6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	108.2780	0.371	2	108.2780	0.137	2	108.2935	0.077	4	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]O){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	108.8080	0.016	2	108.8080	0.000	2	108.8080	0.000	2	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	108.0570	0.000	1	108.0570	0.000	1	107.3480	0.937	25	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	108.8090	0.139	2	108.8090	0.019	2	107.3480	0.937	25	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	107.9290	0.000	1	107.9290	0.000	1	107.3480	0.937	25	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	108.8920	0.000	1	108.8920	0.000	1	107.3480	0.937	25	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	107.9130	0.000	1	107.9130	0.000	1	107.3480	0.937	25	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	108.3180	0.000	1	108.3180	0.000	1	107.3480	0.937	25	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	107.2720	0.524	3	107.2720	0.275	3	107.3480	0.937	25	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	106.5532	0.356	5	106.5532	0.127	5	107.3480	0.937	25	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]O[6]H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]O[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.4700	0.000	1	106.4700	0.000	1	107.3480	0.937	25	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	107.8470	0.000	1	107.8470	0.000	1	107.3480	0.937	25	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.1435	0.138	2	107.1435	0.019	2	107.3480	0.937	25	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	106.6220	0.995	5	106.6220	0.990	5	107.3480	0.937	25	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.6760	0.000	1	108.6760	0.000	1	107.3480	0.937	25	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NIrHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ir)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NIrHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ir){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]N)	106.2160	0.000	1	106.2160	0.000	1	106.6903	1.567	3	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuCH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]N)	105.7450	0.000	1	105.7450	0.000	1	106.6903	1.567	3	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[6]-4:N-4:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]N)	108.1100	0.000	1	108.1100	0.000	1	106.6903	1.567	3	107.4871	1.040	34	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]HO){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	107.1380	0.000	1	107.1380	0.000	1	107.1380	0.000	1	106.6065	0.565	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	3:4:4:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH){2|O<1>,3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	106.0750	0.000	1	106.0750	0.000	1	106.0750	0.000	1	106.6065	0.565	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]CH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	107.5470	0.000	1	107.5470	0.000	1	106.7555	0.602	4	106.7555	0.602	4	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]CH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	105.6890	0.000	1	105.6890	0.000	1	106.7555	0.602	4	106.7555	0.602	4	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.8440	0.000	1	106.8440	0.000	1	106.7555	0.602	4	106.7555	0.602	4	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	106.9420	0.000	1	106.9420	0.000	1	106.7555	0.602	4	106.7555	0.602	4	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	107.6270	0.000	1	107.6270	0.000	1	107.2625	0.266	2	106.9299	0.621	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	106.8980	0.000	1	106.8980	0.000	1	107.2625	0.266	2	106.9299	0.621	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	106.8173	0.890	3	106.8173	0.792	3	106.8349	0.736	7	106.9299	0.621	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]C)	105.6800	0.000	1	105.6800	0.000	1	106.8349	0.736	7	106.9299	0.621	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]C)	106.8295	0.110	2	106.8295	0.012	2	106.8349	0.736	7	106.9299	0.621	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]C)	108.0530	0.000	1	108.0530	0.000	1	106.8349	0.736	7	106.9299	0.621	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6a]C[6])(C[6]C[6,6]HH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]2H)	108.1690	0.016	2	108.1690	0.000	2	108.1690	0.000	2	108.1690	0.000	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)2	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(O[6]Si[6])	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)2{1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(O[6]Si[6]){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	108.5580	0.021	2	108.5580	0.000	2	108.5580	0.000	2	108.5580	0.000	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.5460	0.008	2	109.5460	0.000	2	109.7420	0.052	4	109.3174	0.405	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.9380	0.034	2	109.9380	0.001	2	109.7420	0.052	4	109.3174	0.405	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6]C[6,6]N[6])(H)2	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[5,6]HH)(N[6]C[6]C)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6]C[6,6]N[6])(H)2{2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[5,6]HH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6,6]H)	108.0205	0.637	2	108.0205	0.406	2	108.0205	0.406	2	109.3174	0.405	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]2)(C[6,6]N[6,6]C[6])(H)2	C[6,6](N[6,6]O[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[6,6]C[5]2)(C[6,6]N[6,6]C[6])(H)2{1|N<3>,1|O<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](N[6,6]O[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6,6]H)	110.6990	0.277	2	110.6990	0.077	2	110.6990	0.077	2	109.3174	0.405	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]2H)	108.9595	0.042	2	108.9595	0.002	2	109.3578	0.046	14	109.3174	0.405	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	109.4235	0.157	10	109.4242	0.020	12	109.3578	0.046	14	109.3174	0.405	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	109.4275	0.026	2	109.4242	0.020	12	109.3578	0.046	14	109.3174	0.405	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C){1|N<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	108.6687	0.017	3	108.6687	0.000	3	108.8306	0.049	5	109.3174	0.405	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	109.0735	0.006	2	109.0735	0.000	2	108.8306	0.049	5	109.3174	0.405	27	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:	4:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[3,6]HH)(C[6]C[6]HH)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[3,6]HH)(C[6]C[6]HH){3|C<4>,5|H<1>}	H(C[6]C[3,6]C[6,6]H)	108.1875	0.033	4	108.1875	0.001	4	108.1875	0.001	4	108.8613	0.186	20	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:	4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6,6]H)	108.9540	0.035	2	108.9540	0.001	2	108.7403	0.061	4	108.8613	0.186	20	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:	4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(C[6]N[6]HH){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6,6]H)	108.5265	0.009	2	108.5265	0.000	2	108.7403	0.061	4	108.8613	0.186	20	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.0180	0.013	2	109.0180	0.000	2	109.0180	0.000	2	108.8613	0.186	20	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]O)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3,6,6]C[6]O)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	108.8650	0.052	2	108.8650	0.003	2	109.1479	0.068	10	108.8613	0.186	20	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){5|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	108.8915	0.019	2	108.8915	0.000	2	109.1479	0.068	10	108.8613	0.186	20	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	109.3585	0.063	2	109.3277	0.024	6	109.1479	0.068	10	108.8613	0.186	20	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	109.4800	0.017	2	109.3277	0.024	6	109.1479	0.068	10	108.8613	0.186	20	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	109.1445	0.018	2	109.3277	0.024	6	109.1479	0.068	10	108.8613	0.186	20	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:2:	4:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:O[6]-2:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6])(H)2	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(O[6]C[6,6])	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6])(H)2{1|H<1>,5|C<4>}	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(O[6]C[6,6]){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[3,6]C[6,6]H)	108.5627	0.024	3	108.5627	0.001	3	108.5627	0.001	3	108.5627	0.001	3	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6,6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.3473	0.076	4	109.3473	0.006	4	109.7567	0.196	8	109.7188	0.140	12	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6,6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.1663	0.071	4	110.1663	0.005	4	109.7567	0.196	8	109.7188	0.140	12	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,3|C<3>,3|C<4>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6,6]2H)	109.8270	0.027	2	109.8270	0.001	2	109.6430	0.045	4	109.7188	0.140	12	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]O)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]2H)	109.4590	0.017	2	109.4590	0.000	2	109.6430	0.045	4	109.7188	0.140	12	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6,6]C[6,6]2)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.1015	0.019	2	108.1015	0.000	2	108.5885	1.035	4	108.9206	1.541	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){2|C<3>,5|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.0755	1.469	2	109.0755	2.157	2	108.5885	1.035	4	108.9206	1.541	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6a]C[6])(C[6]C[5,6]HH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6a]C[6])(C[6]C[5,6]HH){2|C<4>,4|C<3>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	112.0420	4.059	2	112.0420	16.474	2	112.0420	16.474	2	108.9206	1.541	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.2305	0.006	2	109.4325	0.057	6	109.4860	0.068	7	108.9206	1.541	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.5335	0.234	4	109.4325	0.057	6	109.4860	0.068	7	108.9206	1.541	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]N[6]HH)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|N<3>,3|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]N[6]HH){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.8070	0.000	1	109.8070	0.000	1	109.4860	0.068	7	108.9206	1.541	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH){3|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	109.1490	0.061	2	108.9176	0.032	8	108.9176	0.032	8	108.9206	1.541	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6,6]HH){2|C<3>,5|H<1>,6|C<4>}	H(C[6]C[6,6]2H)	108.8405	0.126	6	108.9176	0.032	8	108.9176	0.032	8	108.9206	1.541	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	108.9380	0.035	2	108.9380	0.001	2	108.4408	1.239	22	108.9206	1.541	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Os)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]Os)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Os<9>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	107.6170	0.354	4	107.6170	0.125	4	108.4408	1.239	22	108.9206	1.541	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Ru)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]Ru)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|Ru<9>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	108.5846	1.214	16	108.5846	1.473	16	108.4408	1.239	22	108.9206	1.541	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2{2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1440	0.013	2	109.1440	0.000	2	109.2050	0.006	6	108.9206	1.541	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	109.2355	0.083	4	109.2355	0.007	4	109.2050	0.006	6	108.9206	1.541	49	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:2:	4:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]N[6])(H)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HH)(N[6]C[6])	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]N[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HH)(N[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[3,6]C[6,6]H)	110.8520	0.115	14	110.8520	0.013	14	110.8520	0.013	14	110.8520	0.013	14	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[3,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)	H(C[6]C[3,6,6]C[6,6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2){1|O<2>,5|C<4>,7|H<1>}	H(C[6]C[3,6,6]C[6,6]H)	108.9765	0.029	2	108.9765	0.001	2	108.9765	0.001	2	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]2H)(C[6]C[5,6,6]HH)(C[6]C[6]H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]2H)(C[6]C[5,6,6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[5,6,6]C[6,6]H)	108.3425	0.049	2	108.3425	0.002	2	108.3425	0.002	2	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]C[6])(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(C[6]O[6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(C[6]O[6]H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	109.2565	0.005	4	109.2565	0.000	4	109.2565	0.000	4	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(C[6,6]C[6]2){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	108.3540	0.034	2	108.3540	0.001	2	108.3540	0.001	2	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<1>,6|C<4>}	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	110.7935	0.078	2	110.7935	0.006	2	110.1091	0.832	32	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	108.3875	0.008	2	108.3875	0.000	2	110.1091	0.832	32	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.9587	0.609	10	110.0139	0.821	20	110.1091	0.832	32	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.8400	1.647	4	110.0139	0.821	20	110.1091	0.832	32	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	109.5552	0.142	6	110.0139	0.821	20	110.1091	0.832	32	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	111.0100	0.382	2	111.0100	0.146	2	110.1091	0.832	32	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.6860	0.034	2	110.6860	0.001	2	110.1091	0.832	32	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	110.0370	0.041	2	110.0370	0.002	2	110.1091	0.832	32	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]HH)(C[6]C[6,6a]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]HH)(C[6]C[6,6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6,6]H)	110.6920	0.140	2	110.6920	0.020	2	110.1091	0.832	32	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2{2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]H){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]2H)	108.5747	0.180	3	108.5747	0.032	3	109.0562	1.180	9	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	109.3940	0.021	2	109.3940	0.000	2	109.0562	1.180	9	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	109.1580	2.875	2	109.1580	8.266	2	109.0562	1.180	9	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6,6]2H)	109.3390	0.038	2	109.3390	0.001	2	109.0562	1.180	9	109.6739	1.069	51	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:2:1:	4:3:2:	4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:C[6,6]-3:O[6]-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H)	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(O[6]C[6])	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]O)	109.2790	0.000	1	109.2790	0.000	1	109.2790	0.000	1	109.2790	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H)	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	H(C[6]C[5,6]C[6,6]O)	110.5415	2.183	2	110.5415	4.765	2	109.4186	1.305	8	109.2728	1.334	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	H(C[6]C[5,6]C[6,6]O)	109.0443	0.450	6	109.0443	0.202	6	109.4186	1.305	8	109.2728	1.334	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6]C[6,6]HO)(C[6,6]C[6]2)(C[6]C[6]O)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<1>,3|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]HO)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]2O)	108.1060	0.000	1	108.1060	0.000	1	108.1060	0.000	1	109.2728	1.334	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[3,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:C[6]-4:C[6,6]-3:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)	H(C[6]C[3,6]C[6,6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3,6]C[6,6]O)	109.0615	1.283	2	109.0615	1.647	2	109.0615	1.647	2	108.7249	0.504	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]C)	108.6415	0.364	2	108.6415	0.133	2	108.6415	0.133	2	108.7249	0.504	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6,6]O)	109.5370	0.000	1	109.5370	0.000	1	108.5012	0.553	4	108.7249	0.504	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	H(C[6]C[5,6]C[6,6]O)	107.9795	0.207	2	107.9795	0.043	2	108.5012	0.553	4	108.7249	0.504	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6,6]C)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H){1|C<3>,1|O<1>,6|C<4>}	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	H(C[6]C[5,6]C[6,6]O)	108.5090	0.000	1	108.5090	0.000	1	108.5012	0.553	4	108.7249	0.504	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[5,6]C)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[5,6]C){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]2O)	109.1130	0.000	1	109.1130	0.000	1	109.1130	0.000	1	108.7249	0.504	9	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:3:1:	3:4:4:	4:	C[6,6]-4:C[6,6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(CC[6a]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH)	H(C[6]C[6,6]2C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(CC[6a]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]2C)	107.9530	0.180	2	107.9530	0.032	2	107.9530	0.032	2	107.9530	0.032	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	H(C[6]C[3,6]C[6,6]C[6a])	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[3,6]C[6,6]C[6a])	107.4990	0.000	1	107.4990	0.000	1	107.5077	0.035	3	107.3514	0.738	12	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[3,6]C[6,6]C[6a])	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3,6]C[6,6]C[6a])	107.6980	0.000	1	107.5120	0.069	2	107.5077	0.035	3	107.3514	0.738	12	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[3,6]C[6,6]C[6a])	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3,6]C[6,6]C[6a])	107.3260	0.000	1	107.5120	0.069	2	107.5077	0.035	3	107.3514	0.738	12	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]2C[6a])	106.2690	0.000	1	107.2993	0.994	9	107.2993	0.994	9	107.3514	0.738	12	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,3|O<2>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]2C[6a])	106.2180	0.260	2	107.2993	0.994	9	107.2993	0.994	9	107.3514	0.738	12	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]2C[6a])	107.2720	0.000	1	107.2993	0.994	9	107.2993	0.994	9	107.3514	0.738	12	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]2C[6a])	106.7970	0.000	1	107.2993	0.994	9	107.2993	0.994	9	107.3514	0.738	12	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]2C[6a])	108.2300	0.504	4	107.2993	0.994	9	107.2993	0.994	9	107.3514	0.738	12	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<4>,4|C<3>,6|H<1>}	H(C[6]C[5,6]C[6,6]C[6a])	106.4010	0.000	1	106.4010	0.000	1	106.4010	0.000	1	107.4524	1.740	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]2C[6a])	106.6315	0.132	2	106.6315	0.017	2	107.1353	0.770	3	107.4524	1.740	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2C[6a])	108.1430	0.000	1	108.1430	0.000	1	107.1353	0.770	3	107.4524	1.740	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,3|H<1>,6|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	107.4524	1.740	5	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]CH){2|C<3>,4|C<4>,7|H<1>}	H(C[6]C[5,6]C[6,6]C)	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CCHH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]C)	106.2030	0.000	1	106.2030	0.000	1	106.7195	0.534	2	106.7195	0.534	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	H(C[6]C[5,6]C[6,6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]C)	107.2360	0.000	1	107.2360	0.000	1	106.7195	0.534	2	106.7195	0.534	2	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6,6]	H	5:3:3:1:	4:4:3:	4:	C[3x3,4,3x5,14x6]-5:C[6,6]-3:C[6,6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6]C[3x3,4,3x5,14x6]C[6,6]H)(C[6,6]C[6]N[6]Zr)(C[6]C[6]H)	H(C[6]C[3x3,4,3x5,14x6]C[6,6]2)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6,6]C[6,6]C[6])2(H){1|Zr<14>,1|C<5>,1|N<3>,4|C<3>,5|B<6>,6|H<1>}	C[6,6](C[6]C[3x3,4,3x5,14x6]C[6,6]H)(C[6,6]C[6]N[6]Zr)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,4|B<6>}	H(C[6]C[3x3,4,3x5,14x6]C[6,6]2)	106.2590	0.000	1	106.2590	0.000	1	106.2590	0.000	1	106.2590	0.000	1	108.9552	0.873	3179	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	2:4:1:	4:	N[6]-2:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(H)2	C[6](O[6]C[5,6,6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(H)2{2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]HH)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	108.8590	0.008	2	108.8590	0.000	2	108.8590	0.000	2	108.8590	0.000	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	2:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]C)(H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]C)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCH){2|C<3>}	H(C[6]C[6]O[6]H)	109.3410	0.007	2	109.3410	0.000	2	109.3410	0.000	2	109.1740	0.032	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	2:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	S[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CCC)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2{2|C<3>}	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CCC){2|C<3>}	H(C[6]C[6]O[6]H)	109.2245	0.049	2	109.2245	0.002	2	109.0905	0.026	4	109.1740	0.032	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	2:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	S[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CC[6a]C)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2{2|C<3>}	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CC[6a]C){2|C<3>}	H(C[6]C[6]O[6]H)	108.9565	0.053	2	108.9565	0.003	2	109.0905	0.026	4	109.1740	0.032	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	N[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C[6a])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[6a])(C[6]N[6]HH)(H){1|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	108.1140	0.071	2	108.1140	0.005	2	108.1140	0.005	2	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]C)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6,6]C)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]O[6]H)	109.1510	0.013	2	109.1510	0.000	2	109.2584	0.109	16	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6])(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.2145	0.011	2	109.2145	0.000	2	109.2584	0.109	16	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]O[6]HH)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	108.9810	0.007	2	108.9810	0.000	2	109.2584	0.109	16	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.0420	0.028	2	108.9200	0.020	4	109.2584	0.109	16	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	108.7980	0.004	2	108.9200	0.020	4	109.2584	0.109	16	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(H){4|C<3>}	H(C[6]C[6]O[6]H)	109.6945	0.008	2	109.6945	0.000	2	109.2584	0.109	16	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(H){2|C<3>}	H(C[6]C[6]O[6]H)	109.5930	0.191	4	109.5930	0.037	4	109.2584	0.109	16	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:I-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(I)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(I){4|C<3>}	H(C[6]C[6]O[6]H)	108.7240	0.065	2	108.7240	0.004	2	108.8723	0.068	3	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:I-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2	C[6](C[6]C[6,6a]Se)(C[6]O[6]HH)(I)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2{1|Se<2>,2|C<3>}	C[6](C[6]C[6,6a]Se)(C[6]O[6]HH)(I){2|C<3>}	H(C[6]C[6]O[6]H)	109.1690	0.000	1	109.1690	0.000	1	108.8723	0.068	3	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(O){2|C<3>}	H(C[6]C[6]O[6]H)	108.4395	0.046	2	108.4395	0.002	2	108.7984	0.108	5	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]O)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(O){1|N<3>,3|C<3>}	H(C[6]C[6]O[6]H)	109.0377	0.032	3	109.0377	0.001	3	108.7984	0.108	5	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]N[6]O)(H)2	C[6](N[6]C[5a,6]H)(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[5a,6]H)(C[6]O[6]HH)(O){2|C<3>}	H(C[6]C[6]O[6]H)	107.7120	0.018	2	107.7120	0.000	2	108.5343	0.505	31	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.2335	0.006	2	108.2335	0.000	2	108.5343	0.505	31	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	C[6](N[6]C[6,6]H)(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]O[6]HH)(O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	108.5280	0.000	1	108.5280	0.000	1	108.5343	0.505	31	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.0570	0.000	1	108.0570	0.000	1	108.5343	0.505	31	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O){2|C<3>}	H(C[6]C[6]O[6]H)	108.3479	0.618	17	108.3479	0.382	17	108.5343	0.505	31	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]C[6])(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C[6])(C[6]O[6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.1220	0.042	2	109.1220	0.002	2	108.5343	0.505	31	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O){4|C<3>}	H(C[6]C[6]O[6]H)	109.6175	0.640	4	109.6175	0.410	4	108.5343	0.505	31	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]H)(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]O[6]HH)(O){2|C<3>}	H(C[6]C[6]O[6]H)	108.7295	0.009	2	108.7295	0.000	2	108.5343	0.505	31	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	S[6]-2:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]H)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]S[6]HH)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]H)(H)2{1|Cu<4>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]S[6]HH)(H){2|C<3>}	H(C[6]C[6]S[6]H)	109.4450	0.028	2	109.4450	0.001	2	109.2965	0.031	4	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	S[6]-2:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]H)(H)2	C[6](N[6]C[6,6a]Ni)(C[6]S[6]HH)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]H)(H)2{1|Ni<4>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]S[6]HH)(H){2|C<3>}	H(C[6]C[6]S[6]H)	109.1480	0.059	2	109.1480	0.004	2	109.2965	0.031	4	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	S[6]-2:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	H(C[6]C[6]S[6]H)	109.5077	0.542	25	109.5077	0.294	25	109.6712	0.658	29	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:1:	4:	S[6]-2:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(O)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(O){2|C<3>}	H(C[6]C[6]S[6]H)	110.6928	1.475	4	110.6928	2.176	4	109.6712	0.658	29	109.0798	0.655	90	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:2:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-2:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(NN)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(NN){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	108.6100	0.006	2	108.6100	0.000	2	108.6100	0.000	2	109.0852	0.061	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:2:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-2:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]S)(H)2	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SC[6a])	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]S)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SC[6a]){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.0752	0.050	4	109.0752	0.003	4	109.0752	0.003	4	109.0852	0.061	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:2:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:Se-2:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]Se)(H)2	C[6](C[6]N[5a,6]C[6a])(C[6]S[6]HH)(SeC[6a])	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]Se)(H)2{1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]C[6a])(C[6]S[6]HH)(SeC[6a]){4|C<3>}	H(C[6]C[6]S[6]H)	109.2503	0.094	6	109.2503	0.009	6	109.2503	0.009	6	109.0852	0.061	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	H(C[6]C[6]O[6]H)	109.5880	0.000	1	109.5880	0.000	1	108.9256	0.169	48	109.0084	0.335	62	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CHO)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CHO){4|C<3>}	H(C[6]C[6]O[6]H)	108.8317	0.479	3	108.8317	0.229	3	108.9256	0.169	48	109.0084	0.335	62	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]Cl)(C[6]O[6]HH)(CHN)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|Cl<1>,2|C<3>}	C[6](C[6]C[6,6a]Cl)(C[6]O[6]HH)(CHN){2|C<3>}	H(C[6]C[6]O[6]H)	108.1380	0.655	4	108.1380	0.429	4	108.9256	0.169	48	109.0084	0.335	62	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CCO)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CCO){2|C<3>}	H(C[6]C[6]O[6]H)	108.8500	0.017	2	108.8500	0.000	2	108.9256	0.169	48	109.0084	0.335	62	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CHO)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CHO){2|C<3>}	H(C[6]C[6]O[6]H)	108.5250	0.014	2	108.5250	0.000	2	108.9256	0.169	48	109.0084	0.335	62	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCH){2|C<3>}	H(C[6]C[6]O[6]H)	108.8027	0.136	3	108.8027	0.019	3	108.9256	0.169	48	109.0084	0.335	62	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	H(C[6]C[6]O[6]H)	109.0078	0.277	27	109.0078	0.077	27	108.9256	0.169	48	109.0084	0.335	62	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHN)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHN){2|C<3>}	H(C[6]C[6]O[6]H)	109.2380	0.110	6	109.2380	0.012	6	108.9256	0.169	48	109.0084	0.335	62	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:3:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CCH)	H(C[6]C[6]S[6]H)	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CCH){1|C<3>,1|C<4>}	H(C[6]C[6]S[6]H)	108.0470	0.030	2	108.0470	0.001	2	109.2173	0.961	12	109.0084	0.335	62	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:3:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CN[6]C)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CN[6]C){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]S[6]H)	111.1295	0.446	2	111.1295	0.199	2	109.2173	0.961	12	109.0084	0.335	62	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:3:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]H)(C[6]S[6]HH)(CCH)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]S[6]HH)(CCH){2|C<3>}	H(C[6]C[6]S[6]H)	108.9125	0.049	2	108.9125	0.002	2	109.2173	0.961	12	109.0084	0.335	62	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:3:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]O)(C[6]S[6]HH)(CHN)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]S[6]HH)(CHN){2|C<3>}	H(C[6]C[6]S[6]H)	109.0717	0.041	6	109.0717	0.002	6	109.2173	0.961	12	109.0084	0.335	62	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:3:	4:	S[6]-2:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]C)(H)2	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(CC[5a]C)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]C)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(CC[5a]C){2|C<3>}	H(C[6]C[6]S[6]H)	109.7400	0.083	2	109.7400	0.007	2	109.7400	0.007	2	109.0084	0.335	62	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:P-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]P)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(PC[6a]2O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]P)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(PC[6a]2O){4|C<3>}	H(C[6]C[6]O[6]H)	109.4510	0.219	3	109.4510	0.048	3	109.4510	0.048	3	108.1024	1.717	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3)	H(C[6]C[6]S[6]H)	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3){1|C<3>,1|C<4>}	H(C[6]C[6]S[6]H)	107.3410	1.689	8	107.3410	2.852	8	107.8495	1.622	16	108.1024	1.717	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHO)	H(C[6]C[6]S[6]H)	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHO){1|C<3>,1|C<4>}	H(C[6]C[6]S[6]H)	108.3582	0.133	4	108.3582	0.018	4	107.8495	1.622	16	108.1024	1.717	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHS)	H(C[6]C[6]S[6]H)	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHS){1|C<3>,1|C<4>}	H(C[6]C[6]S[6]H)	108.1520	0.025	2	108.1520	0.001	2	107.8495	1.622	16	108.1024	1.717	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	3:4:4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CN[6]HH)	H(C[6]C[6]S[6]H)	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CN[6]HH){1|C<3>,1|C<4>}	H(C[6]C[6]S[6]H)	108.5635	0.091	2	108.5635	0.008	2	107.8495	1.622	16	108.1024	1.717	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:2:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:O-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	C[6](C[6]O[6]HH)(N[6]C[6,6])(O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6,6])(O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	108.3992	0.064	4	108.3992	0.004	4	108.3992	0.004	4	109.1822	120.943	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:2:1:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](S[6]C[5,6])(C[6]S[6]H)(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5,6])(C[6]S[6]H)(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	109.9652	16.750	4	109.9652	280.561	4	109.9652	280.561	4	109.1822	120.943	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:2:3:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:S[6]-2:C-3:	C[6]-4:	C[6](S[6]C[5,6])(C[6]S[6]C)(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHH)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5,6])(C[6]S[6]C)(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHH){1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	108.8685	0.029	2	108.8685	0.001	2	108.8685	0.001	2	108.8685	0.001	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:2:4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](S[6]C[5,6])(C[6]N[6]C)(H)2	C[6](C[6]S[6]HH)(N[6]N[5,6])(CH3)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5,6])(C[6]N[6]C)(H)2{1|N<2>,1|N<3>}	C[6](C[6]S[6]HH)(N[6]N[5,6])(CH3){2|C<3>}	H(C[6]C[6]S[6]H)	107.4815	0.080	2	108.4855	1.347	4	108.4855	1.347	4	108.4855	1.347	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:2:4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](S[6]C[5,6])(C[6]N[6]C)(H)2	C[6](C[6]S[6]HH)(N[6]N[5,6])(CH3)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5,6])(C[6]N[6]C)(H)2{2|N<3>}	C[6](C[6]S[6]HH)(N[6]N[5,6])(CH3){2|C<3>}	H(C[6]C[6]S[6]H)	109.4895	0.042	2	108.4855	1.347	4	108.4855	1.347	4	108.4855	1.347	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:3:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(O){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1250	0.052	4	109.1250	0.003	4	109.1250	0.003	4	109.0138	0.031	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:3:1:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](S[6]C[6,6])(C[6]C[6]H)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]S[6]H)	108.7915	0.016	2	108.7915	0.000	2	108.7915	0.000	2	109.0138	0.031	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:3:4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](S[6]C[6,6])(C[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	108.7070	0.017	2	108.7070	0.000	2	108.7070	0.000	2	108.7070	0.000	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.2250	0.010	2	109.3475	0.015	6	109.3475	0.015	6	109.3475	0.015	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:4:1:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.4087	0.103	4	109.3475	0.015	6	109.3475	0.015	6	109.3475	0.015	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:4:2:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CC)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CC){2|C<3>}	H(C[6]C[6]O[6]H)	109.6370	0.041	2	109.6370	0.002	2	109.6370	0.002	2	109.3913	0.182	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:4:2:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(NN)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(NN){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	109.3913	0.182	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6])(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	109.2210	0.069	2	109.2210	0.005	2	109.6232	0.884	15	109.6232	0.884	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(CHH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(CHH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.1510	0.124	8	109.1510	0.015	8	109.6232	0.884	15	109.6232	0.884	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2	C[6](C[6]O[6]HH)2(CHH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2{2|H<1>,3|O<2>}	C[6](C[6]O[6]HH)2(CHH){1|C<4>}	H(C[6]C[6]O[6]H)	110.8903	1.079	4	110.8903	1.165	4	109.6232	0.884	15	109.6232	0.884	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:1:1:	4:4:3:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	H(C[6]C[6]O[6]H)	109.1370	0.000	1	109.1370	0.000	1	109.6232	0.884	15	109.6232	0.884	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:2:1:	3:3:4:	4:	O[6]-2:C[6]-3:C-2:H-1:	N[6]-3:C-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(C[6]N[6]C)(CN)(H)	C[6](N[6]C[5,6]Ni)(CC[5a]C[6a])(C[6]O[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5,6])(C[6]N[6]C)(CN)(H){1|Ni<4>,1|H<1>,2|C<3>}	C[6](N[6]C[5,6]Ni)(CC[5a]C[6a])(C[6]O[6]CH){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	108.6145	0.534	2	108.6145	0.285	2	108.6145	0.285	2	108.6145	0.285	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:2:1:	3:4:1:	4:	O[6]-2:C[6]-3:C-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CN)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]C[6]H)(CN)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.4160	0.000	1	107.4160	0.000	1	108.3515	1.750	2	108.3515	1.750	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:2:1:	3:4:1:	4:	O[6]-2:C[6]-3:C-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC)(H){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CH)(H){4|C<3>}	H(C[6]C[6]O[6]C)	109.2870	0.000	1	109.2870	0.000	1	108.3515	1.750	2	108.3515	1.750	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:2:1:	3:4:2:	4:	O[6]-2:C[6]-3:O-2:H-1:	C-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](O[6]C[5,6])(C[6]N[6]C)(OC)(H)	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[5,6])	H(C[6]C[6]O[6]O)	C[6](O[6]C[5,6])(C[6]N[6]C)(OC)(H){1|H<1>,2|C<3>}	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[5,6]){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]O)	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:2:1:	3:4:3:	4:	O[6]-2:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHN)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHN){2|C<3>}	H(C[6]C[6]O[6]O)	108.9690	0.000	1	108.9690	0.000	1	108.9267	0.022	4	108.9267	0.022	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:2:1:	3:4:3:	4:	O[6]-2:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO){2|C<3>}	H(C[6]C[6]O[6]O)	108.9127	0.179	3	108.9127	0.032	3	108.9267	0.022	4	108.9267	0.022	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:3:1:	3:4:1:	4:	O[6]-2:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CNO)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]C[6]H)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.0550	0.000	1	107.0550	0.000	1	107.6725	0.763	2	107.6473	0.383	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:3:1:	3:4:1:	4:	O[6]-2:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(H){2|C<3>}	H(C[6]C[6]O[6]C)	108.2900	0.000	1	108.2900	0.000	1	107.6725	0.763	2	107.6473	0.383	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:3:1:	3:4:1:	4:	S[6]-2:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	H(C[6]C[6]S[6]C)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]O)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	H(C[6]C[6]S[6]C)	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	107.6473	0.383	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:3:1:	3:4:3:	4:	O[6]-2:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CNO)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHN)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CNO)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHN){2|C<3>}	H(C[6]C[6]O[6]C)	108.9840	0.000	1	108.9840	0.000	1	108.2775	0.998	2	108.2775	0.998	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:3:1:	3:4:3:	4:	O[6]-2:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(COO)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(COO)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(COO){2|C<3>}	H(C[6]C[6]O[6]C)	107.5710	0.000	1	107.5710	0.000	1	108.2775	0.998	2	108.2775	0.998	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	2:4:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	107.5175	0.640	2	107.5175	0.410	2	106.3490	0.974	29	106.3490	0.974	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	2:4:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	106.5735	0.237	2	106.5735	0.056	2	106.3490	0.974	29	106.3490	0.974	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	2:4:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	107.1946	0.883	7	107.1946	0.780	7	106.3490	0.974	29	106.3490	0.974	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	2:4:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6]HO)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6]HO)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	106.6000	0.000	1	106.6000	0.000	1	106.3490	0.974	29	106.3490	0.974	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	2:4:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	105.3044	0.233	5	105.3044	0.054	5	106.3490	0.974	29	106.3490	0.974	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	2:4:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	108.2440	0.000	1	108.2440	0.000	1	106.3490	0.974	29	106.3490	0.974	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	2:4:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	105.3257	0.211	4	105.3257	0.044	4	106.3490	0.974	29	106.3490	0.974	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	2:4:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	106.1296	0.230	7	106.1296	0.053	7	106.3490	0.974	29	106.3490	0.974	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	3:4:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	105.2405	1.794	2	105.2405	3.218	2	105.7397	2.357	3	106.6710	3.465	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	3:4:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	106.7380	0.000	1	106.7380	0.000	1	105.7397	2.357	3	106.6710	3.465	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	3:4:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(O)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(O){2|C<4>}	H(C[6]C[6]O[6]C)	108.1115	0.395	2	108.1115	0.156	2	108.1115	0.156	2	106.6710	3.465	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	3:4:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O){2|C<3>}	H(C[6]C[6]O[6]C)	105.8300	0.231	2	105.8300	0.053	2	106.7543	2.590	3	106.6710	3.465	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	3:4:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(H)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O){2|C<3>}	H(C[6]C[6]O[6]C)	108.6030	0.000	1	108.6030	0.000	1	106.7543	2.590	3	106.6710	3.465	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	3:4:1:	4:	S[6]-2:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]O)(CCHH)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	H(C[6]C[6]S[6]C)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CCHH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	H(C[6]C[6]S[6]C)	109.1770	0.000	1	109.1770	0.000	1	106.5025	14.306	2	106.6710	3.465	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	3:4:1:	4:	S[6]-2:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]HO)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	H(C[6]C[6]S[6]C)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]HO)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	H(C[6]C[6]S[6]C)	103.8280	0.000	1	103.8280	0.000	1	106.5025	14.306	2	106.6710	3.465	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	3:4:3:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]C)(C[6]O[6]CH)(COO)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	C[6](C[6]C[5,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<4>}	H(C[6]C[6]O[6]C)	107.8810	0.000	1	107.8810	0.000	1	107.5493	0.277	4	107.3926	0.331	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	3:4:3:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<2>}	H(C[6]C[6]O[6]C)	107.7670	0.197	2	107.7670	0.039	2	107.5493	0.277	4	107.3926	0.331	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	3:4:3:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CC3)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHO)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CC3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHO){2|C<3>}	H(C[6]C[6]O[6]C)	106.7820	0.000	1	106.7820	0.000	1	107.5493	0.277	4	107.3926	0.331	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	3:4:3:	4:	S[6]-2:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:N-3:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]N)(CCHO)(H)	C[6](C[6]C[6,6a]H)(C[6]S[6]CH)(NOO)	H(C[6]C[6]S[6]C)	C[6](S[6]C[6,6a])(C[6]C[6]N)(CCHO)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]S[6]CH)(NOO){2|C<3>}	H(C[6]C[6]S[6]C)	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	107.3926	0.331	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	3:4:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO){2|C<3>}	H(C[6]C[6]O[6]C)	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	4:2:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H)	C[6](C[6]N[6]CH)(O[6]C[3x6])(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C[6](C[6]N[6]CH)(O[6]C[3x6])(O){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	108.1745	0.586	2	108.1745	0.344	2	107.8005	0.632	4	107.6253	1.075	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	4:2:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCO)(H)	C[6](C[6]N[6]CH)(O[6]C[3x6])(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCO)(H){2|C<4>}	C[6](C[6]N[6]CH)(O[6]C[3x6])(O){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	106.7220	0.000	1	106.7220	0.000	1	107.8005	0.632	4	107.6253	1.075	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	4:2:1:	4:	N[6]-2:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6,6])(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(H){2|C<4>}	C[6](C[6]N[6]CH)(O[6]C[6,6])(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	108.1310	0.000	1	108.1310	0.000	1	107.8005	0.632	4	107.6253	1.075	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	4:2:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]O[6]O)(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5,6,6])(C[6]O[6]O)(CH3)(H){1|S<2>,2|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	107.8360	0.000	1	107.8360	0.000	1	108.2075	0.276	2	107.6253	1.075	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	4:2:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C[6](C[6]O[6]CH)(O[6]C[6,6])(O)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H){1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6,6])(O){1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	108.5790	0.000	1	108.5790	0.000	1	108.2075	0.276	2	107.6253	1.075	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	4:2:1:	4:	S[6]-2:C[6]-3:C-4:H-1:	C[6]-4:S[6]-2:H-1:	C[6]-4:	C[6](S[6]C[5,6])(C[6]S[6]H)(CH3)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)	H(C[6]C[6]S[6]C)	C[6](S[6]C[5,6])(C[6]S[6]H)(CH3)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(H){1|C<3>,1|S<2>}	H(C[6]C[6]S[6]C)	105.7600	0.000	1	105.7600	0.000	1	105.7600	0.000	1	107.6253	1.075	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	4:3:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]H)(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5,6])(C[6]C[6]H)(CH3)(H){2|C<3>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5740	0.000	1	108.5740	0.000	1	108.5740	0.000	1	108.5740	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	2:3:4:1:	4:4:1:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(O)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5,6])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	108.5400	0.495	2	108.5400	0.245	2	108.5400	0.245	2	108.5400	0.245	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:2:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(O[6]C[6,6a])(H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]O[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6])(O[6]C[6,6a])(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]O[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	112.5600	0.494	2	112.5600	0.244	2	112.5600	0.244	2	109.5576	1.589	58	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:2:4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[5a]-3:N[6]-2:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(H)2	C[6](C[5a]C[5a]N[5a])(N[6]N[5a,6])(C[6]S[6]HH)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(H)2{1|C<3>,1|N<2>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]N[5a,6])(C[6]S[6]HH){1|N<2>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]S[6]H)	109.8572	1.858	8	109.8572	3.451	8	109.8572	3.451	8	109.5576	1.589	58	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:2:4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(H)2	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){1|Cl<1>,1|H<1>,4|C<3>}	H(C[6]C[6]S[6]H)	109.3890	0.171	4	109.3825	0.978	48	109.3825	0.978	48	109.5576	1.589	58	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:2:4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(H)2	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){1|F<1>,1|H<1>,4|C<3>}	H(C[6]C[6]S[6]H)	109.1495	0.117	10	109.3825	0.978	48	109.3825	0.978	48	109.5576	1.589	58	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:2:4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(H)2	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6]S[6]H)	109.4503	1.169	34	109.3825	0.978	48	109.3825	0.978	48	109.5576	1.589	58	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(H)2	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]HH){1|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	109.0745	0.012	2	109.0745	0.000	2	109.0745	0.000	2	108.9479	0.038	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6])(H)2{2|C<4>,4|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	108.7930	0.013	2	108.7930	0.000	2	108.9163	0.043	8	108.9479	0.038	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(H)2	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.2130	0.010	2	109.2130	0.000	2	108.9163	0.043	8	108.9479	0.038	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]O[6]H)	108.7045	0.016	2	108.8295	0.021	4	108.9163	0.043	8	108.9479	0.038	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]O[6]H)	108.9545	0.006	2	108.8295	0.021	4	108.9163	0.043	8	108.9479	0.038	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:N[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6])(H)2{1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	107.1460	0.673	2	107.1460	0.453	2	107.1460	0.453	2	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[3x6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.1950	0.088	2	109.1950	0.008	2	108.8990	0.120	4	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[3x6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	108.6030	0.055	2	108.6030	0.003	2	108.8990	0.120	4	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[4,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]H)(O[6]C[6,6])(H)2	C[6](C[4,6]C[4,6,6]C[4])(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]H)(O[6]C[6,6])(H)2{1|C<3>,3|C<4>}	C[6](C[4,6]C[4,6,6]C[4])(C[6]O[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	108.5990	0.034	2	108.5990	0.001	2	108.5990	0.001	2	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(O[6]C[5,6])(H)2	C[6](C[5,6]C[5,5,6]C[5])(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]H)(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]O[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	108.8180	0.000	1	108.8180	0.000	1	108.5605	0.133	2	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	108.3030	0.000	1	108.3030	0.000	1	108.5605	0.133	2	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.9365	0.073	2	108.9365	0.005	2	108.9365	0.005	2	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5a,6]O)(O[6]C[6,6a])(H)2	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]O)(O[6]C[6,6a])(H)2{3|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]O[6]HH)(O){4|C<3>}	H(C[6]C[6]O[6]H)	107.1250	0.033	2	107.1250	0.001	2	108.1560	0.638	6	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5a,6]O)(O[6]C[6])(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]O)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(O){1|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	108.6715	0.004	4	108.6715	0.000	4	108.1560	0.638	6	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]H)(O[6]C[6])(H)2	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]H)(O[6]C[6])(H)2{1|S<4>,2|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H){2|O<1>,3|C<3>}	H(C[6]C[6]O[6]H)	111.4485	5.782	2	111.4485	33.432	2	111.4485	33.432	2	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(O[6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]O)(O[6]C[6])(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	108.9085	0.009	2	108.9085	0.000	2	108.9085	0.000	2	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.4884	0.217	5	108.7313	0.140	8	108.7245	0.090	12	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.1360	0.056	3	108.7313	0.140	8	108.7245	0.090	12	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	C[6](N[6]C[6a]N[6])(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|N<2>,2|C<3>}	C[6](N[6]C[6a]N[6])(C[6]O[6]HH)(O){3|C<3>}	H(C[6]C[6]O[6]H)	108.7110	0.049	4	108.7110	0.002	4	108.7245	0.090	12	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(S[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]S[6]H)	108.9870	0.040	2	108.9870	0.002	2	108.9870	0.002	2	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:1:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(S[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(O)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]O)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]S[6]H)	109.2037	0.412	4	109.2037	0.170	4	109.2037	0.170	4	108.7803	1.593	40	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:2:	4:	C[6]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(N[6]S[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]N)(N[6]S[6])(H)2{2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN){1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	109.4061	0.128	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:2:	4:	C[6]-3:O[6]-2:H-1:H-1:	C-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(H)2	C[6](CC[5a]C[6a])(C[6]O[6]HH)(N[6]C[6])	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](CC[5a]C[6a])(C[6]O[6]HH)(N[6]C[6]){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.1905	0.045	4	109.1905	0.002	4	109.1905	0.002	4	109.4061	0.128	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:2:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CC[6])	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CC[6]){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.6580	0.007	2	109.6580	0.000	2	109.6580	0.000	2	109.4061	0.128	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:2:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:Se-2:	C[6]-4:	C[6](C[6]C[6]Se)(O[6]C[6,6])(H)2	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a])	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]Se)(O[6]C[6,6])(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a]){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.1298	0.207	4	109.1298	0.043	4	109.1298	0.043	4	109.4061	0.128	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:2:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2	C[6](C[5a]C[5a]N[5a])(C[6]S[6]HH)(N[6]N[6])	H(C[6]C[6]S[6]H)	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2{1|C<3>,1|N<2>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]S[6]HH)(N[6]N[6]){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]S[6]H)	109.3541	0.127	7	109.3541	0.016	7	109.5849	0.116	11	109.4061	0.128	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:2:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2	C[6](C[5a]C[5a]S[5a])(C[6]S[6]HH)(N[6]N[6])	H(C[6]C[6]S[6]H)	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[6](C[5a]C[5a]S[5a])(C[6]S[6]HH)(N[6]N[6]){1|H<1>,3|C<3>}	H(C[6]C[6]S[6]H)	109.9887	0.118	4	109.9887	0.014	4	109.5849	0.116	11	109.4061	0.128	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:2:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(S[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(N[6]N[6])	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]N[6])(S[6]C[6])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(N[6]N[6]){2|H<1>,3|C<3>}	H(C[6]C[6]S[6]H)	109.6255	0.037	2	109.4958	0.011	6	109.4958	0.011	6	109.4061	0.128	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:2:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(S[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(N[6]N[6])	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]N[6])(S[6]C[6])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(N[6]N[6]){3|C<3>,3|H<1>}	H(C[6]C[6]S[6]H)	109.4310	0.042	4	109.4958	0.011	6	109.4958	0.011	6	109.4061	0.128	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C)(O[6]C[6])(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H){1|N<3>,3|C<3>}	H(C[6]C[6]O[6]H)	108.0950	0.023	2	108.0950	0.001	2	108.0950	0.001	2	108.9853	0.456	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CHH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CHH){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.0605	0.009	2	109.0605	0.000	2	109.0605	0.000	2	108.9853	0.456	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCH){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.4317	0.721	4	108.4317	0.519	4	108.4317	0.519	4	108.9853	0.456	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:C[4]-3:	C[6]-4:	C[6](C[6]C[4]C[6])(O[6]S[6])(H)2	C[6](C[6]C[6a]N[6])(C[6]O[6]HH)(C[4]C[4]2)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4]C[6])(O[6]S[6])(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<1>}	C[6](C[6]C[6a]N[6])(C[6]O[6]HH)(C[4]C[4]2){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.9225	0.084	2	109.9225	0.007	2	109.9225	0.007	2	108.9853	0.456	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	108.9915	0.033	2	108.9915	0.001	2	108.9915	0.001	2	108.9853	0.456	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[5a,6]C)(O[6]C[6])(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(CC[5a]H){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.7605	0.047	2	108.7605	0.002	2	108.7605	0.002	2	108.9853	0.456	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6,6]C)(O[6]C[6,6a])(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]C)(O[6]C[6,6a])(H)2{3|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.6995	0.083	2	109.6995	0.007	2	109.6995	0.007	2	108.9853	0.456	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CHH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]C)(O[6]C[6])(H)2{1|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CHH){1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.4750	0.033	2	109.4750	0.001	2	109.4750	0.001	2	108.9853	0.456	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(O[6]N[5,6])(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]HH)(CH3)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C)(O[6]N[5,6])(H)2{1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]HH)(CH3){1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.2990	0.008	2	109.2990	0.000	2	109.1013	0.052	4	109.0067	0.049	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(O[6]O[6])(H)2	C[6](C[6,6]C[6,6]2)(C[6]O[6]HH)(CH3)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C)(O[6]O[6])(H)2{2|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]HH)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	108.9035	0.025	2	108.9035	0.001	2	109.1013	0.052	4	109.0067	0.049	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCHH){1|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	108.7850	0.007	2	108.7850	0.000	2	108.7850	0.000	2	109.0067	0.049	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	3:4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]S)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(SC[6a]OO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]S)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	109.0067	0.049	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:2:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]O[6]H)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]H)(O[6]C[6])(H)2{1|C<3>,2|H<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.5487	0.375	4	109.5487	0.140	4	109.5487	0.140	4	108.9613	0.321	14	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:2:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(O)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]O)(O[6]C[6])(H)2{1|C<4>,1|O<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	108.1635	0.015	2	108.7263	0.201	10	108.7263	0.201	10	108.9613	0.321	14	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:2:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(O)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]O)(O[6]C[6])(H)2{1|C<4>,1|O<1>}	C[6](C[6]O[6]HH)(O[6]C[6])(O){1|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.8670	0.382	8	108.7263	0.201	10	108.7263	0.201	10	108.9613	0.321	14	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:2:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]O[6]C)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(CN[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]C)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	C[6](C[6]O[6]HH)(O[6]C[6])(CN[6]H){1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	109.0350	0.018	2	109.0350	0.000	2	109.0350	0.000	2	109.6735	0.544	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:2:3:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]O[6]C)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(CCH)	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]C)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	C[6](C[6]S[6]HH)(O[6]C[6])(CCH){2|C<3>}	H(C[6]C[6]S[6]H)	110.3120	0.014	2	110.3120	0.000	2	110.3120	0.000	2	109.6735	0.544	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:1:	4:	C[6]-3:C[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6])(H)2{1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>}	H(C[6]C[6]2H)	107.0775	0.005	2	107.0775	0.000	2	107.0775	0.000	2	108.9764	2.141	45	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:1:	4:	C[6]-3:N[6]-2:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	107.5345	3.822	4	107.5345	14.606	4	107.5345	14.606	4	108.9764	2.141	45	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9370	0.026	4	108.9370	0.001	4	109.4574	0.601	29	108.9764	2.141	45	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9315	0.034	4	108.9315	0.001	4	109.4574	0.601	29	108.9764	2.141	45	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]N[6]H)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]O[6]HH)(C[6]N[6]H)(H){1|C<3>,1|S<4>}	H(C[6]C[6]O[6]H)	109.4385	0.025	4	109.4385	0.001	4	109.4574	0.601	29	108.9764	2.141	45	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|C<4>,2|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	110.2352	0.854	10	110.2352	0.729	10	109.4574	0.601	29	108.9764	2.141	45	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|Pt<4>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(H){1|N<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.8085	0.141	4	108.8085	0.020	4	109.4574	0.601	29	108.9764	2.141	45	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|O<2>,2|C<4>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.1503	0.038	3	109.1503	0.001	3	109.4574	0.601	29	108.9764	2.141	45	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(O){1|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.4210	0.000	1	108.4210	0.000	1	108.7990	0.279	4	108.9764	2.141	45	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]N[6]H)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]O[6]HH)(N[6]N[6]H)(O){1|C<3>}	H(C[6]C[6]O[6]H)	108.5970	0.027	2	108.5970	0.001	2	108.7990	0.279	4	108.9764	2.141	45	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]N[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]N[6])(H)2{1|C<3>,1|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(O){1|C<3>,1|N<2>}	H(C[6]C[6]O[6]H)	109.5810	0.000	1	109.5810	0.000	1	108.7990	0.279	4	108.9764	2.141	45	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:1:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]H)(S[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]S[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	108.6695	0.045	2	108.6695	0.002	2	107.8983	1.832	4	108.9764	2.141	45	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:1:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(S[6]S[6])(H)2	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]H)(S[6]S[6])(H)2{1|C<4>,1|H<1>,1|W<6>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|S<3>,2|H<1>}	H(C[6]C[6]S[6]H)	107.1270	1.765	2	107.1270	3.115	2	107.8983	1.832	4	108.9764	2.141	45	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:1:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]O)(S[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(O){1|H<1>,2|C<4>}	H(C[6]C[6]S[6]H)	109.2965	0.008	2	109.2965	0.000	2	109.2965	0.000	2	108.9764	2.141	45	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:2:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]O)(O[6]N[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(OSi)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]O)(O[6]N[6])(H)2{1|C<4>,2|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(OSi){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.3000	0.028	2	109.3000	0.001	2	109.3000	0.001	2	109.3000	0.001	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	108.7770	0.033	2	108.7770	0.001	2	109.1808	0.079	17	109.2228	0.071	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,2|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	109.0080	0.096	6	109.0080	0.009	6	109.1808	0.079	17	109.2228	0.071	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.3195	0.025	2	109.3195	0.001	2	109.1808	0.079	17	109.2228	0.071	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.4047	0.229	7	109.4047	0.053	7	109.1808	0.079	17	109.2228	0.071	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]C)(O[6]C[6])(H)2{2|C<3>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>}	H(C[6]C[6]O[6]H)	109.4013	0.030	4	109.4013	0.001	4	109.4013	0.001	4	109.2228	0.071	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.7575	0.032	2	108.7575	0.001	2	108.9720	0.188	8	108.7979	0.181	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	108.5980	0.020	2	108.5980	0.000	2	108.9720	0.188	8	108.7979	0.181	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]N[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]N[6])(H)2{1|C<3>,2|C<4>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3){1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0330	0.035	2	109.0330	0.001	2	108.9720	0.188	8	108.7979	0.181	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]O[6])(H)2	C[6](C[6]O[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]O[6])(H)2{1|C<4>,1|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]O[6]H)	109.4995	0.617	2	109.4995	0.381	2	108.9720	0.188	8	108.7979	0.181	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]C)(S[6]C[6])(H)2{4|C<4>}	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	108.6100	0.011	2	108.6100	0.000	2	108.5194	0.057	5	108.7979	0.181	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(S[6]C[6])(H)2	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]C)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3){1|H<1>,2|C<4>}	H(C[6]C[6]S[6]H)	108.2770	0.016	2	108.2770	0.000	2	108.5194	0.057	5	108.7979	0.181	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:3:4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(S[6]P[6])(H)2	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]C)(S[6]P[6])(H)2{1|C<3>,1|W<6>,2|C<4>}	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|H<1>}	H(C[6]C[6]S[6]H)	108.8230	0.000	1	108.8230	0.000	1	108.5194	0.057	5	108.7979	0.181	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]HH)(H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.0635	0.026	2	109.0635	0.001	2	109.0635	0.001	2	109.1512	2.247	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]O)(O[6]C[5,6])(H)2	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]O)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]O[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.6340	0.048	4	108.6340	0.002	4	108.6340	0.002	4	109.1512	2.247	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]O)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1325	5.240	2	109.1325	27.461	2	109.1325	27.461	2	109.1512	2.247	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(O[6]C[6])(H)2	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]O)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]O[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	108.7670	0.020	2	108.7670	0.000	2	108.7670	0.000	2	109.1512	2.247	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(H)2	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(O){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	110.2340	0.044	2	110.2340	0.002	2	109.7612	0.188	5	109.1512	2.247	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(O){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.4160	0.033	2	109.4160	0.001	2	109.7612	0.188	5	109.1512	2.247	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:1:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(O){1|C<4>}	H(C[6]C[6]O[6]H)	109.5060	0.000	1	109.5060	0.000	1	109.7612	0.188	5	109.1512	2.247	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:2:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[4,6]C)(O[6]C[6])(H)2	C[6](C[4,6]C[4,6]C[4]O)(C[6]O[6]HH)(CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]C)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]O)(C[6]O[6]HH)(CC){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4430	0.004	2	109.4430	0.000	2	109.4430	0.000	2	109.4430	0.000	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(O[6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]HH)(CHH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]HH)(CHH){3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1110	0.064	4	109.1110	0.004	4	109.1202	0.003	5	109.6078	0.884	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(O[6]Si[6])(H)2	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]O[6]HH)(CHH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C)(O[6]Si[6])(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]O[6])(C[6]O[6]HH)(CHH){1|Si<4>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.1570	0.000	1	109.1570	0.000	1	109.1202	0.003	5	109.6078	0.884	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.2590	0.006	2	109.2590	0.000	2	109.7361	1.045	19	109.6078	0.884	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]FF)(C[6]O[6]HH)(CHH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]HH)(CHH){1|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	109.5930	0.000	1	109.7996	0.034	5	109.7361	1.045	19	109.6078	0.884	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]FF)(C[6]O[6]HH)(CHH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]HH)(CHH){1|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	109.8512	0.165	4	109.7996	0.034	5	109.7361	1.045	19	109.6078	0.884	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH){1|C<2>,1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.4430	0.006	2	110.9790	3.174	4	109.7361	1.045	19	109.6078	0.884	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	112.5150	0.291	2	110.9790	3.174	4	109.7361	1.045	19	109.6078	0.884	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1440	0.130	6	109.1440	0.017	6	109.7361	1.045	19	109.6078	0.884	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H){1|C<4>}	H(C[6]C[6]O[6]H)	109.3450	0.008	2	109.3450	0.000	2	109.7361	1.045	19	109.6078	0.884	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:1:1:	4:4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(O[6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5790	0.013	2	109.5790	0.000	2	109.5790	0.000	2	109.5790	0.000	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	3:4:2:	4:	C[6]-3:O[6]-2:O-2:H-1:	C-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6])	H(C[6]C[6]O[6]O)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|C<3>,2|H<1>}	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6]){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]O)	108.3175	0.210	2	108.3175	0.044	2	108.3175	0.044	2	108.3175	0.044	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	3:4:3:	4:	C[6]-3:O[6]-2:O-2:H-1:	C-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6]Ni)	H(C[6]C[6]O[6]O)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|Ni<4>,1|C<3>,1|H<1>,1|O<2>}	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6]Ni){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]O)	109.4387	0.261	4	109.4387	0.068	4	109.4387	0.068	4	109.3910	0.063	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	3:4:3:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(O[6]C[6])(OC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(CHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6a]C)(O[6]C[6])(OC[6a])(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(CHH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]O)	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	109.3910	0.063	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	4:3:1:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	C[6](C[6]O[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|H<1>,3|C<4>}	C[6](C[6]O[6]HO)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.4660	0.000	1	108.4660	0.000	1	108.2780	0.058	5	108.3932	0.341	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	4:3:1:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	C[6](C[6]O[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<1>}	H(C[6]C[6]O[6]O)	108.4790	0.000	1	108.2750	0.082	3	108.2780	0.058	5	108.3932	0.341	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	4:3:1:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	C[6](C[6]O[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.1730	0.318	2	108.2750	0.082	3	108.2780	0.058	5	108.3932	0.341	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	4:3:1:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC[6])(H)	C[6](C[6]O[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	108.0990	0.000	1	108.0990	0.000	1	108.2780	0.058	5	108.3932	0.341	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	4:3:1:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(OC[6a])(H)	C[6](C[6]O[6]HO)(C[6]C[6]O)(O)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]O)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]O[6]HO)(C[6]C[6]O)(O){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]O)	109.1390	0.000	1	109.1390	0.000	1	109.1390	0.000	1	108.3932	0.341	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	4:3:1:	4:	C[6]-3:O[6]-2:S-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(SC[6a])(H)	C[6](C[6]O[6]HS)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]H)(O[6]C[6])(SC[6a])(H){2|C<4>,2|H<1>}	C[6](C[6]O[6]HS)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	108.3085	1.231	2	108.3085	1.516	2	108.3085	1.516	2	108.3932	0.341	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	4:3:3:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	C[6](C[6]O[6]HO)(C[6]C[6]H)(COO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]O)	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	108.5427	4.594	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	4:3:3:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H)	C[6](C[6]O[6]HO)(C[6]C[6]H)(NOO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(NOO){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.1650	0.000	1	109.1650	0.000	1	109.1650	0.000	1	108.5427	4.594	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	4:3:3:	4:	C[6]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(O[6]C[6])2(H)	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]N[6])(O[6]C[6])2(H){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]O[6]2)	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	108.5427	4.594	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	4:3:4:	4:	C[6]-3:O[6]-2:N-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H)	C[6](C[6]O[6]HN)(C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HN)(C[6]O[6]H)(CH3){1|C<4>}	H(C[6]C[6]O[6]N)	107.3850	0.000	1	107.3850	0.000	1	107.3850	0.000	1	107.3850	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	4:4:1:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(O[6]C[6])(OC[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(O)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]O)(O[6]C[6])(OC[6])(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	108.2967	0.164	3	108.2967	0.027	3	108.2967	0.027	3	108.2967	0.027	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	4:4:2:	4:	C[6]-3:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(SH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]O)(O[6]C[6])(SH)(H){1|C<1>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]S)	107.4780	0.000	1	107.4780	0.000	1	107.4780	0.000	1	107.4780	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	4:4:3:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH){2|C<3>}	H(C[6]C[6]O[6]O)	109.0720	0.000	1	109.0720	0.000	1	109.3845	0.195	2	109.3845	0.195	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:2:1:	4:4:3:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CHH){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]O)	109.6970	0.000	1	109.6970	0.000	1	109.3845	0.195	2	109.3845	0.195	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	3:4:3:	4:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(NCS)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HN)(CHH)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(NCS)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HN)(CHH){2|C<3>,2|C<4>}	H(C[6]C[6]O[6]N)	108.2760	0.000	1	108.2760	0.000	1	108.2760	0.000	1	108.2760	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:2:3:	4:	C[5a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(O[6]C[6,6a])(C[6]N[6]C)(H)	C[6](C[6]C[5a]O[6]H)(N[6]C[6,6a])(COO)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a,6a]C[5a])(O[6]C[6,6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]O[6]H)(N[6]C[6,6a])(COO){4|C<3>}	H(C[6]C[5a]C[6]O[6])	106.9680	0.000	1	106.9680	0.000	1	106.9680	0.000	1	107.5110	0.261	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:2:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(CCH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|O<2>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(CCH){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.1840	0.000	1	107.1840	0.000	1	107.6920	0.196	3	107.5110	0.261	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:2:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(COO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(COO){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.9460	0.065	2	107.9460	0.004	2	107.6920	0.196	3	107.5110	0.261	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:1:	4:	C[6]-3:N[6]-2:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]N[6])(NCH)(H)	C[6](C[6]N[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]N[6])(NCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HN)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	H(C[6]C[6]N[6]N)	107.8520	0.000	1	107.8520	0.000	1	107.8520	0.000	1	108.1634	2.130	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:1:	4:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H)	C[6](C[6]O[6]HN)(C[6]C[6]H)(Br)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]HN)(C[6]C[6]H)(Br){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]N)	108.0730	0.000	1	108.0730	0.000	1	108.0730	0.000	1	108.1634	2.130	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:1:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]C)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]C)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	111.5470	0.000	1	111.5470	0.000	1	109.8915	5.481	2	108.1634	2.130	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:1:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.2360	0.000	1	108.2360	0.000	1	109.8915	5.481	2	108.1634	2.130	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:1:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(H)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(H){4|C<3>}	H(C[6]C[6a]C[6]S[6])	109.6050	0.000	1	107.3850	1.569	5	107.3850	1.569	5	108.1634	2.130	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:1:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(H)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(H){4|C<3>}	H(C[6]C[6a]C[6]S[6])	106.8300	0.197	4	107.3850	1.569	5	107.3850	1.569	5	108.1634	2.130	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:1:	4:	N[5a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a]C[5a]2)(O[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6,6]H)(H)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]2)(O[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]N[5a]C[6]O[6])	108.5820	0.291	2	108.5820	0.085	2	108.5820	0.085	2	108.1634	2.130	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:2:	4:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H)	C[6](C[6]O[6]HN)(C[6]C[6]C)(OC)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H){1|C<3>,2|C<4>}	C[6](C[6]O[6]HN)(C[6]C[6]C)(OC){1|N<3>,2|H<1>}	H(C[6]C[6]O[6]N)	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:N[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]C)(COO){4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6320	0.000	1	107.6320	0.000	1	107.6320	0.000	1	107.2606	0.359	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Cl<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.0840	0.000	1	107.0840	0.000	1	107.5308	0.200	11	107.2606	0.359	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(CHN)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(CHN){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.5740	0.000	1	107.5740	0.000	1	107.5308	0.200	11	107.2606	0.359	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.4286	0.349	7	107.4286	0.122	7	107.5308	0.200	11	107.2606	0.359	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CHN)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CHN){4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.0905	0.612	2	108.0905	0.374	2	107.5308	0.200	11	107.2606	0.359	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(NOO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.7960	0.000	1	107.7960	0.000	1	107.7960	0.000	1	107.2606	0.359	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[5a,6]C)(COO)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[5a,6]C)(COO){4|C<3>}	H(C[6]C[6a]C[6]S[6])	106.0830	0.000	1	106.0830	0.000	1	106.1940	0.025	2	107.2606	0.359	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(CC[6a]O)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(CC[6a]O){4|C<3>}	H(C[6]C[6a]C[6]S[6])	106.3050	0.000	1	106.3050	0.000	1	106.1940	0.025	2	107.2606	0.359	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	H(C[6]C[6a]C[6]S[6])	106.7505	0.350	2	106.8240	0.057	4	106.8240	0.057	4	107.2606	0.359	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	H(C[6]C[6a]C[6]S[6])	106.7790	0.000	1	106.8240	0.057	4	106.8240	0.057	4	107.2606	0.359	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	H(C[6]C[6a]C[6]S[6])	107.0160	0.000	1	106.8240	0.057	4	106.8240	0.057	4	107.2606	0.359	19	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:4:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(CH3)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(CH3){4|C<3>}	H(C[6]C[6a]C[6]O[6])	106.7140	0.301	2	106.7140	0.091	2	106.8193	0.079	3	106.8193	0.079	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:3:4:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[5a]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[5a]HH){4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.0300	0.000	1	107.0300	0.000	1	106.8193	0.079	3	106.8193	0.079	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:3:1:	4:4:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(CN[5]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(CN[5]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]O[6])	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	3:3:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]O[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H){5|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]O[6]CH){1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	3:4:1:	4:	C[6]-3:C[6]-2:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6])(CC[6]HS)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]O)(C[6]C[6])(CC[6]HS)(H){1|C<2>,1|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){3|C<2>}	H(C[6]C[6]2C)	105.8930	0.000	1	105.8930	0.000	1	105.8930	0.000	1	107.2649	3.382	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	3:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]CH)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	H(C[6]C[6]O[6]C)	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	107.2649	3.382	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	3:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	106.1410	0.000	1	106.1410	0.000	1	106.1410	0.000	1	107.2649	3.382	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	3:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	104.3890	0.000	1	104.3890	0.000	1	104.3890	0.000	1	107.2649	3.382	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	3:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.6100	0.000	1	107.6100	0.000	1	108.1490	0.581	2	107.2649	3.382	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	3:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.6880	0.000	1	108.6880	0.000	1	108.1490	0.581	2	107.2649	3.382	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	3:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(O[6]C[6,6])(CH3)(H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]O[6]CH)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[5,6]O)(O[6]C[6,6])(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]O[6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	109.4150	0.000	1	109.4150	0.000	1	109.4150	0.000	1	107.2649	3.382	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CC3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CC3)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	101.4620	1.915	2	101.4620	3.667	2	106.7053	7.868	18	107.0802	7.035	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[5,6])(O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[5,6])(O){1|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	106.6770	0.000	1	106.6770	0.000	1	106.7053	7.868	18	107.0802	7.035	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	100.3850	0.000	1	107.2699	8.165	9	106.7053	7.868	18	107.0802	7.035	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){2|C<3>}	H(C[6]C[6]O[6]C)	107.2810	0.000	1	107.2699	8.165	9	106.7053	7.868	18	107.0802	7.035	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|Br<1>,1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	109.0480	0.000	1	107.2699	8.165	9	106.7053	7.868	18	107.0802	7.035	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	107.4430	1.785	3	107.2699	8.165	9	106.7053	7.868	18	107.0802	7.035	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	107.9290	0.000	1	107.2699	8.165	9	106.7053	7.868	18	107.0802	7.035	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	109.2285	0.436	2	107.2699	8.165	9	106.7053	7.868	18	107.0802	7.035	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	107.5597	0.794	4	107.6288	0.496	5	106.7053	7.868	18	107.0802	7.035	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.9050	0.000	1	107.6288	0.496	5	106.7053	7.868	18	107.0802	7.035	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CHHS)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	107.5220	0.000	1	107.5220	0.000	1	106.7053	7.868	18	107.0802	7.035	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:S-1:	C[6]-4:	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(S)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(S){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	108.7065	0.227	2	108.7670	0.025	4	108.7670	0.025	4	107.0802	7.035	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:S-1:	C[6]-4:	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(S)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(S){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	108.8275	0.093	2	108.7670	0.025	4	108.7670	0.025	4	107.0802	7.035	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:2:	4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC){1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]N[6]C)	106.5110	0.000	1	107.4943	0.777	3	107.2224	0.394	12	106.1855	3.121	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:2:	4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	107.9860	0.322	2	107.4943	0.777	3	107.2224	0.394	12	106.1855	3.121	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:2:	4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6,6])(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6,6])(OC){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	107.6755	0.168	2	107.6755	0.028	2	107.2224	0.394	12	106.1855	3.121	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:2:	4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	107.2973	0.228	3	106.9432	0.262	5	107.2224	0.394	12	106.1855	3.121	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:2:	4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	106.4120	0.041	2	106.9432	0.262	5	107.2224	0.394	12	106.1855	3.121	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:2:	4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CC[3]HO)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6])(CC[3]HO)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	107.6210	0.000	1	107.6210	0.000	1	107.2224	0.394	12	106.1855	3.121	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:2:	4:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(CC[6]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6])(CC[6]HH)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	106.4980	0.000	1	106.4980	0.000	1	107.2224	0.394	12	106.1855	3.121	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:2:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(H)	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	104.0380	0.000	1	104.0380	0.000	1	104.0955	0.601	8	106.1855	3.121	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:2:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|O<4>}	H(C[6]C[6]O[6]C)	103.1250	0.000	1	104.1037	0.701	7	104.0955	0.601	8	106.1855	3.121	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:2:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	104.2668	0.786	6	104.1037	0.701	7	104.0955	0.601	8	106.1855	3.121	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:2:2:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(OB)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>}	C[6](C[6]O[6]CH)(O[6]C[6])(OB){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	108.3235	0.028	2	108.3235	0.001	2	108.3235	0.001	2	106.1855	3.121	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:1:	4:	C[6]-3:C[6]-2:P-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6])(PC[6a]3)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]H)(C[6]C[6])(PC[6a]3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	H(C[6]C[6]2P)	119.4510	0.000	1	119.4510	0.000	1	119.4510	0.000	1	108.8185	9.209	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	108.0370	0.916	2	108.7980	1.052	4	108.4433	1.188	9	108.8185	9.209	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.5590	0.000	2	108.7980	1.052	4	108.4433	1.188	9	108.8185	9.209	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H){1|C<4>,1|O<1>}	H(C[6]C[6]O[6]C)	108.9410	0.000	1	108.9410	0.000	1	108.4433	1.188	9	108.8185	9.209	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	107.0240	0.000	1	107.0240	0.000	1	108.4433	1.188	9	108.8185	9.209	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<4>,2|C<3>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	106.8270	0.000	1	106.8270	0.000	1	108.4433	1.188	9	108.8185	9.209	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	H(C[6]C[6]O[6]C)	109.4180	0.000	1	109.4180	0.000	1	108.4433	1.188	9	108.8185	9.209	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	108.5880	0.000	1	108.5880	0.000	1	108.4433	1.188	9	108.8185	9.209	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	107.4780	0.000	1	107.4780	0.000	1	107.4780	0.000	1	108.8185	9.209	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	104.4830	0.000	1	104.4830	0.000	1	107.8327	3.177	6	108.8185	9.209	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]O)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|N<2>,1|O<2>}	C[6](C[6]O[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	107.6310	0.000	1	107.6310	0.000	1	107.8327	3.177	6	108.8185	9.209	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	108.4113	0.404	3	108.4113	0.163	3	107.8327	3.177	6	108.8185	9.209	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]O[6]C)	109.6480	0.000	1	109.6480	0.000	1	107.8327	3.177	6	108.8185	9.209	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:2:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]C)	107.6880	0.000	1	107.6880	0.000	1	107.6880	0.000	1	107.6880	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:3:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]O[6])(CC[6]HH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(O[6]O[6])(CC[6]HH)(H){1|C<4>,1|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	106.7700	0.203	3	106.7700	0.041	3	106.7700	0.041	3	106.7700	0.041	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(O[6]C[6])(CHHO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]O)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	106.9450	0.000	1	106.9450	0.000	1	106.9450	0.000	1	107.9372	1.435	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(O){3|C<3>,3|C<4>}	H(C[6]C[6]O[6]C)	108.2060	0.112	2	108.2060	0.012	2	108.2060	0.012	2	107.9372	1.435	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CC[3]HH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CC[3]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.6130	0.000	1	106.6130	0.000	1	108.0130	2.061	6	107.9372	1.435	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(O){1|C<4>}	H(C[6]C[6]O[6]C)	110.1790	0.000	1	110.1790	0.000	1	108.0130	2.061	6	107.9372	1.435	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]O[6]C)	106.4740	0.000	1	106.4740	0.000	1	108.0130	2.061	6	107.9372	1.435	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.1050	0.000	1	109.1050	0.000	1	108.0130	2.061	6	107.9372	1.435	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:4:1:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.8535	0.206	2	107.8535	0.042	2	108.0130	2.061	6	107.9372	1.435	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[3,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3,6]C)(O[6]C[6])(CHHO)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]CH)(CCC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[3,6]C)(O[6]C[6])(CHHO)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]CH)(CCC){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	107.2770	0.000	1	107.2770	0.000	1	107.2770	0.000	1	107.8960	0.276	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H){1|C<4>}	H(C[6]C[6]O[6]C)	108.3470	0.000	1	108.3470	0.000	1	108.1023	0.158	3	107.8960	0.276	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2){1|C<4>,1|O<1>}	H(C[6]C[6]O[6]C)	108.3170	0.000	1	108.3170	0.000	1	108.1023	0.158	3	107.8960	0.276	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:2:4:1:	4:4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.6430	0.000	1	107.6430	0.000	1	108.1023	0.158	3	107.8960	0.276	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	2:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2	C[6](O[6]C[6,6a])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]HH)(O){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.7290	0.087	4	108.7290	0.008	4	108.7290	0.008	4	108.7290	0.008	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	2:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]C)(H)2	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]C)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CC[6a]H){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	2:4:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]C)2(H)2	C[6](O[6]Ga[3x6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]O[6]C)2(H)2{1|Ga<6>}	C[6](O[6]Ga[3x6])(C[6]C[6]HH)(CH3){1|C<4>,5|O<2>}	H(C[6]C[6]2H)	105.8190	0.059	4	105.8190	0.003	4	105.8190	0.003	4	105.8190	0.003	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:2:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:O[6]-2:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6])(N[6]C[6,6a]S)(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6])(N[6]C[6,6a]S)(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.6005	0.013	2	109.6005	0.000	2	109.6005	0.000	2	109.6005	0.000	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[4,6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]C[6a])(C[6]C[6]H)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.6670	0.006	2	108.6670	0.000	2	108.6670	0.000	2	108.7687	2.263	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)2{1|Br<1>,1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|Br<1>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	106.9082	0.400	4	106.9082	0.160	4	106.9082	0.160	4	108.7687	2.263	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[5,6]C)(H)2	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[5,6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]HH){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6]N[6]H)	110.0428	0.400	6	110.0428	0.160	6	110.0428	0.160	6	108.7687	2.263	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(O)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[5,6]O)(H)2{2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5225	0.015	2	109.5225	0.000	2	109.5225	0.000	2	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0695	0.080	2	109.0695	0.006	2	109.3843	0.530	6	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5418	0.885	4	109.5418	0.783	4	109.3843	0.530	6	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7050	0.000	1	108.7050	0.000	1	109.0108	0.303	4	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4710	0.120	2	109.1127	0.392	3	109.0108	0.303	4	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H){1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.3960	0.000	1	109.1127	0.392	3	109.0108	0.303	4	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)2{1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(O){1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	112.3755	3.560	4	112.3755	12.677	4	112.3755	12.677	4	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6a]HH)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6a]HH)(O){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2655	0.028	2	109.2655	0.001	2	108.8563	0.135	6	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4445	0.025	2	108.6518	0.058	4	108.8563	0.135	6	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8590	0.031	2	108.6518	0.058	4	108.8563	0.135	6	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|P<4>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H){1|C<4>,1|W<6>,5|C<3>}	H(C[6]C[6]2H)	109.4600	0.000	1	109.4600	0.000	1	107.9287	1.761	3	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.1630	0.059	2	107.1630	0.004	2	107.9287	1.761	3	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(H)2{3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]HH)(H){2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.3867	0.047	4	109.3867	0.002	4	109.0045	0.475	22	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.2275	1.404	2	108.2275	1.970	2	109.0045	0.475	22	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9350	0.045	2	108.9350	0.002	2	109.0045	0.475	22	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.2190	1.325	4	109.2190	1.755	4	109.0045	0.475	22	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1945	0.008	2	109.1945	0.000	2	109.0045	0.475	22	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<2>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7375	0.028	2	108.7255	0.001	4	109.0045	0.475	22	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[6]C[6]2H)	108.7135	0.032	2	108.7255	0.001	4	109.0045	0.475	22	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9650	0.010	2	109.0150	0.119	4	109.0045	0.475	22	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0650	0.590	2	109.0150	0.119	4	109.0045	0.475	22	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.6320	0.000	1	108.6320	0.000	1	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.7680	0.027	2	108.7680	0.001	2	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	107.0790	0.000	1	107.0790	0.000	1	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2H)	107.3865	0.005	2	107.3865	0.000	2	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.5445	0.018	2	109.2512	0.115	4	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9580	0.030	2	109.2512	0.115	4	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|Rh<8>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.3140	0.037	2	108.1813	1.004	4	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0485	0.039	2	108.1813	1.004	4	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.5875	0.015	2	108.5875	0.000	2	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9330	0.134	2	108.9330	0.018	2	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|B<3>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5470	0.044	2	109.5470	0.002	2	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]Ga[6]Si)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|Ga<4>,2|Si<4>}	C[6](C[6]Ga[6]Si)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	106.4640	0.022	3	106.4640	0.000	3	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]In[6]Si)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|In<4>,2|Si<4>}	C[6](C[6]In[6]Si)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	106.2073	0.031	3	106.2073	0.001	3	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]N[5]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,1|N<3>,1|N<4>}	C[6](C[6]N[5]N[6])(C[6]C[6]HH)(H){1|Ru<7>,1|B<5>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.4970	0.000	1	109.4970	0.000	1	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	110.9835	0.753	2	110.9835	0.567	2	108.3229	1.946	29	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]N[5,6]O)(H)2{4|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(O){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.5835	0.006	4	110.5835	0.000	4	110.5835	0.000	4	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	104.8060	2.205	2	104.8060	4.861	2	104.8060	4.861	2	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|O<1>,4|C<3>}	H(C[6]C[6]2H)	108.0090	0.000	1	108.0090	0.000	1	108.0090	0.000	1	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[4,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]H)(N[6]C[6,6]S)(H)2	C[6](C[4,6]C[4,6,6]C[4])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[4,6]H)(N[6]C[6,6]S)(H)2{1|C<3>,3|C<4>}	C[6](C[4,6]C[4,6,6]C[4])(C[6]N[6]HH)(H){1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1900	0.020	2	109.1900	0.000	2	109.1900	0.000	2	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]H)(N[6]C[6]S)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6270	0.057	4	109.6270	0.003	4	109.6270	0.003	4	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,5,6]C[5])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]N[6]HH)(H){1|H<1>,1|O<1>,1|S<4>,4|C<4>}	H(C[6]C[6]N[6]H)	112.2080	1.447	2	112.2080	2.093	2	110.8245	3.252	4	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(H){1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4410	0.083	2	109.4410	0.007	2	110.8245	3.252	4	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(N[6]O[6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]H)(N[6]O[6]H)(H)2{2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	111.6775	3.027	2	111.6775	9.163	2	111.6775	9.163	2	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.6080	0.007	2	108.6080	0.000	2	108.5892	0.042	6	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.8075	0.022	2	108.8075	0.000	2	108.5892	0.042	6	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O){1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.3520	0.004	2	108.3520	0.000	2	108.5892	0.042	6	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1450	0.028	2	109.1450	0.001	2	108.9243	1.383	24	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.0730	0.037	2	108.0990	1.437	4	108.9243	1.383	24	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.1250	0.717	2	108.0990	1.437	4	108.9243	1.383	24	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7187	1.529	10	108.7187	2.337	10	108.9243	1.383	24	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5895	0.054	2	109.5895	0.003	2	108.9243	1.383	24	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3935	0.032	2	109.5218	0.040	6	108.9243	1.383	24	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7780	0.004	2	109.5218	0.040	6	108.9243	1.383	24	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|Si<3>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.3940	0.042	2	109.5218	0.040	6	108.9243	1.383	24	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.0950	0.027	2	108.0978	1.525	4	107.7529	0.759	10	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]N[6]H)	107.1005	0.771	2	108.0978	1.525	4	107.7529	0.759	10	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	107.3385	0.500	4	107.3385	0.250	4	107.7529	0.759	10	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(H)2{1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.8920	0.552	2	107.8920	0.304	2	107.7529	0.759	10	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C[6](N[6,6]C[3,6,6]C[6,6a])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](N[6,6]C[3,6,6]C[6,6a])(C[6]N[6]HH)(O){1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	108.3120	0.181	5	108.3120	0.033	5	109.0083	7.618	25	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]N[6]HH)(O){1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	107.9650	0.000	1	107.9650	0.000	1	109.0083	7.618	25	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.7070	0.050	6	108.7055	0.072	15	109.0083	7.618	25	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3110	0.000	1	108.7055	0.072	15	109.0083	7.618	25	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.6286	0.289	8	108.7055	0.072	15	109.0083	7.618	25	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O){1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	111.2750	7.217	4	111.2750	52.081	4	109.0083	7.618	25	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	108.2265	0.018	2	109.1087	0.467	6	108.1527	3.984	8	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5498	0.026	4	109.1087	0.467	6	108.1527	3.984	8	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	105.2850	1.902	2	105.2850	3.618	2	108.1527	3.984	8	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]C[3x5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6]H)(C[6]N[5,6]HH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[3x5,6]C[5])(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]N[5,6]HH)(H){4|C<4>}	H(C[6]N[5,6]C[6]H)	109.7540	0.095	4	109.7540	0.009	4	109.8475	0.027	6	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[5,6]HH)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]N[5,6]HH)(H){1|C<4>,4|C<3>}	H(C[6]N[5,6]C[6]H)	110.0345	0.064	2	110.0345	0.004	2	109.8475	0.027	6	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(H){1|C<4>,2|N<3>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	109.4585	0.028	2	109.4585	0.001	2	109.4585	0.001	2	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[5a,6]HH)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[5a,6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>,2|C<4>}	H(C[6]N[5a,6]C[6]H)	109.9145	0.015	2	109.9145	0.000	2	109.8858	0.056	6	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	110.1325	0.006	2	109.8715	0.093	4	109.8858	0.056	6	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]N[5a,6]C[6]H)	109.6105	0.074	2	109.8715	0.093	4	109.8858	0.056	6	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[4,6,6]H)(C[6]N[6,6]HH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[4,6,6]H)(C[6]N[6,6]HH)(H){4|C<4>}	H(C[6]N[6,6]C[6]H)	108.9840	0.033	2	108.9840	0.001	2	108.7930	0.049	4	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[3,5,6]H)(C[6]N[6,6]HH)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[3,5,6]H)(C[6]N[6,6]HH)(H){4|C<4>}	H(C[6]N[6,6]C[6]H)	108.6020	0.014	2	108.6020	0.000	2	108.7930	0.049	4	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6,6]HH)(O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]N[6,6]HH)(O){1|C<4>,1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	108.7174	0.158	5	108.7174	0.025	5	108.7174	0.025	5	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]C[6a])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6a])(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9230	0.013	2	108.9230	0.000	2	110.0990	2.033	4	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]O[6])(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	111.2750	0.752	2	111.2750	0.566	2	110.0990	2.033	4	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:Br-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]Br)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(Br)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]Br)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(Br){3|C<3>}	H(C[6]C[6]N[6]H)	109.9295	0.016	2	109.9295	0.000	2	109.9295	0.000	2	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[3,5,6]H)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3,5,6]H)(C[6]N[6]HH)(H){1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	111.9685	1.009	2	111.9685	1.018	2	109.5948	0.957	21	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(H){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4100	0.000	1	109.4100	0.000	1	109.5948	0.957	21	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]Cl)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2{1|Cl<1>,2|C<3>}	C[6](C[6]C[6,6a]Cl)(C[6]N[6]HH)(H){3|C<3>}	H(C[6]C[6]N[6]H)	109.7915	0.018	2	109.7915	0.000	2	109.5948	0.957	21	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(H){3|C<3>}	H(C[6]C[6]N[6]H)	109.5277	0.212	4	109.5277	0.045	4	109.5948	0.957	21	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]N[6]HH)(H){1|S<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.1790	0.153	3	109.1790	0.023	3	109.5948	0.957	21	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|S<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.2853	0.296	7	109.2853	0.088	7	109.5948	0.957	21	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]N[5,6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]N[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(H){1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]H)	108.9580	2.003	2	108.9580	4.010	2	109.5948	0.957	21	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6,6]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6,6]O)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.0505	0.042	2	109.0505	0.002	2	108.4321	0.088	12	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	108.3620	0.020	2	108.3084	0.006	10	108.4321	0.088	12	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.2950	0.079	8	108.3084	0.006	10	108.4321	0.088	12	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[5,6]C[6])(C[6]N[6]O)(H)2	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6])(C[6]N[6]O)(H)2{3|H<1>,4|C<4>}	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(O){3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	107.9160	0.038	2	107.9160	0.001	2	107.8954	0.785	11	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(O){3|C<3>}	H(C[6]C[6]N[6]H)	109.0417	0.120	3	109.0417	0.014	3	107.8954	0.785	11	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	107.3153	0.609	6	107.3153	0.371	6	107.8954	0.785	11	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:1:	4:	S[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](S[6]C[6,6a]O)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a]O)(C[6]N[6]O)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){1|O<1>,2|C<3>}	H(C[6]C[6]S[6]H)	112.2650	1.543	2	112.2650	2.381	2	112.2650	2.381	2	108.9911	2.666	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]2H)	110.4095	0.067	2	110.3830	0.009	6	110.3830	0.009	6	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN){1|N<2>,4|C<3>}	H(C[6]C[6]2H)	110.3697	0.115	4	110.3830	0.009	6	110.3830	0.009	6	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9610	0.000	1	108.9610	0.000	1	109.0710	0.446	3	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1260	0.935	2	109.1260	0.874	2	109.0710	0.446	3	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3200	0.000	1	110.0585	0.202	8	110.0585	0.202	8	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.6405	0.029	2	110.0585	0.202	8	110.0585	0.202	8	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	110.3785	0.089	4	110.0585	0.202	8	110.0585	0.202	8	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.3530	0.000	1	110.0585	0.202	8	110.0585	0.202	8	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]O)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(OC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]O)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(OC){1|C<3>,1|H<1>,1|S<4>,3|C<4>}	H(C[6]C[6]N[6]H)	109.8515	0.021	2	109.8515	0.000	2	109.8515	0.000	2	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.9605	0.030	2	109.4592	0.332	4	109.4592	0.332	4	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9580	0.016	2	109.4592	0.332	4	109.4592	0.332	4	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(N[6]S[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]N)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.7373	0.279	3	108.7373	0.078	3	108.6799	0.050	21	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(N[6]S[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]N)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN){1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6703	0.222	18	108.6703	0.050	18	108.6799	0.050	21	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]N[6])	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]N[6]){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.2490	0.011	2	109.2490	0.000	2	109.6720	0.239	4	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]N[6])	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(H)2{1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]N[6]){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	110.0950	0.004	2	110.0950	0.000	2	109.6720	0.239	4	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-2:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<1>,1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	115.1615	2.092	2	112.2682	13.421	4	112.2682	13.421	4	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:2:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-2:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN){1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3750	1.550	2	112.2682	13.421	4	112.2682	13.421	4	109.5684	1.921	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(H)2{3|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3200	0.091	3	109.3200	0.008	3	109.2718	0.010	5	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)2(H)2	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)2(H)2{1|C<4>,1|H<1>,2|N<3>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(COO){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.1995	0.073	2	109.1995	0.005	2	109.2718	0.010	5	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.3505	0.050	2	107.3505	0.003	2	107.3505	0.003	2	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|Pt<5>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.5005	0.017	4	107.5005	0.000	4	107.5005	0.000	4	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4385	0.018	2	109.4385	0.000	2	109.0176	0.293	14	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9600	0.024	2	108.5272	0.203	6	109.0176	0.293	14	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3107	0.388	4	108.5272	0.203	6	109.0176	0.293	14	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.2140	0.038	2	109.2140	0.001	2	109.0176	0.293	14	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,4|C<3>}	H(C[6]C[6]2H)	109.6630	0.044	2	109.6630	0.002	2	109.0176	0.293	14	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)2{2|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(COO){1|S<4>,4|C<3>}	H(C[6]C[6]2H)	109.2260	0.004	2	109.2260	0.000	2	109.0176	0.293	14	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6,6]H)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6]2H)	110.6350	1.509	2	110.6350	2.277	2	110.6350	2.277	2	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]N)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)2{2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]N){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.2050	0.013	2	109.2050	0.000	2	108.1015	0.790	6	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	108.0090	0.000	1	108.0090	0.000	1	108.1015	0.790	6	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	107.3967	0.081	3	107.3967	0.007	3	108.1015	0.790	6	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(CC[6a]H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.9120	0.000	1	108.9120	0.000	1	108.9120	0.000	1	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2	C[6](C[5,6]N[5,6]N[5])(C[6]N[6]HH)(NOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]N[6]HH)(NOO){5|C<4>}	H(C[6]C[6]N[6]H)	109.1097	0.126	4	109.1097	0.016	4	109.1097	0.016	4	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CC[5a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CC[5a]H){2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.4650	0.020	2	109.4650	0.000	2	109.1343	0.132	6	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(CCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(CCH){1|C<4>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.1520	0.010	2	109.1520	0.000	2	109.1343	0.132	6	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.7860	0.444	2	108.7860	0.197	2	109.1343	0.132	6	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CC[6a]H){1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.0390	0.021	2	109.0390	0.000	2	109.2758	0.047	5	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(COO){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4337	0.017	3	109.4337	0.000	3	109.2758	0.047	5	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3800	0.025	2	109.3800	0.001	2	109.1808	0.159	16	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5390	0.006	2	109.5390	0.000	2	109.1808	0.159	16	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[5a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[5a]H){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2260	0.007	4	109.2260	0.000	4	109.1808	0.159	16	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.0187	0.511	8	109.0187	0.261	8	109.1808	0.159	16	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	111.8545	2.990	2	110.9207	7.087	3	110.9207	7.087	3	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.0530	0.000	1	110.9207	7.087	3	110.9207	7.087	3	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	H(C[6]C[6]N[6]H)	109.0715	0.260	64	109.0715	0.068	64	109.0715	0.068	64	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]N)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(NOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]N)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(NOO){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.8650	0.031	2	109.8650	0.001	2	109.8650	0.001	2	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5115	0.029	2	109.5115	0.001	2	109.5115	0.001	2	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[5a,6]C)(N[6]C[6]H)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CC[5a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]C)(N[6]C[6]H)(H)2{1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CC[5a]H){2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.4110	0.069	2	109.4110	0.005	2	109.4110	0.005	2	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	H(C[6]N[5,6]C[6]H)	108.6096	0.527	27	108.6096	0.278	27	108.6096	0.278	27	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]C)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]HH)(CHH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]C)(H)2{1|O<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]HH)(CHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.6185	0.005	2	109.6185	0.000	2	109.6185	0.000	2	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]C)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(CC[6a]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(CC[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CC[6a]O){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.0135	0.035	2	109.0135	0.001	2	109.0135	0.001	2	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]N[6]C)(H)2	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.3117	0.117	9	109.3117	0.014	9	109.3117	0.014	9	109.0155	0.476	179	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHN)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.8460	0.014	2	108.8460	0.000	2	108.8460	0.000	2	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|S<2>,2|C<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8595	0.019	2	108.8595	0.000	2	108.8595	0.000	2	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,5|C<3>}	H(C[6]C[6]2H)	108.2320	0.023	2	108.2320	0.001	2	108.5417	0.058	6	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7080	0.004	2	108.6965	0.000	4	108.5417	0.058	6	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6850	0.013	2	108.6965	0.000	4	108.5417	0.058	6	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:P[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)2	C[6](C[6]C[6]P[5])(P[5]C[5]2Pt)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)2{1|Pt<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[6](C[6]C[6]P[5])(P[5]C[5]2Pt)(C[6]C[6]HH){1|C<3>,4|H<1>,6|C<4>}	H(C[6]C[6]2H)	107.8935	0.066	2	107.8935	0.004	2	107.8935	0.004	2	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]C)2(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]N[6]C)2(H)2{1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	105.5495	0.088	6	105.5495	0.008	6	105.5495	0.008	6	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[4,6]-3:C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[4,6]Si)(N[6]C[6]S)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]HH)(SiC3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[4,6]Si)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]HH)(SiC3){1|C<3>,1|C<4>,1|S<4>,2|F<1>}	H(C[6]C[6]N[6]H)	108.6212	0.285	5	108.6212	0.081	5	108.6212	0.081	5	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2	C[6](C[5,6]C[3,5]C[5,6])(C[6]N[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[3,5]C[5,6])(C[6]N[6]HH)(CH3){1|C<3>,1|H<1>,1|S<4>,4|C<4>}	H(C[6]C[6]N[6]H)	108.9125	0.035	2	108.9125	0.001	2	109.1268	0.063	4	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(CCCH){1|C<3>,1|S<4>,4|C<4>}	H(C[6]C[6]N[6]H)	109.3410	0.064	2	109.3410	0.004	2	109.1268	0.063	4	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	108.9085	0.267	4	109.0070	0.066	6	109.0070	0.066	6	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2{3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|S<4>,5|H<1>,7|C<4>}	H(C[6]C[6]N[6]H)	109.2040	0.014	2	109.0070	0.066	6	109.0070	0.066	6	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:B-4:	C[6]-4:	C[6](C[6]C[6]B)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(BC[5]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]B)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(BC[5]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.1485	0.059	2	109.1485	0.003	2	109.1485	0.003	2	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CF3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CF3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4715	0.057	2	109.4715	0.003	2	109.4715	0.003	2	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]S)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]S)(N[6]C[6]C)(H)2{3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO){1|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	110.2300	0.075	4	110.2300	0.006	4	110.0972	0.046	6	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]S)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]S)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8315	0.059	2	109.8315	0.003	2	110.0972	0.046	6	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.7845	0.057	4	108.7845	0.003	4	108.8651	0.047	12	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CH3){3|C<3>}	H(C[6]C[6]N[6]H)	109.5320	0.000	1	109.5320	0.000	1	108.8651	0.047	12	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C)(C[6]N[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]HH)(CH3){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.9330	0.000	1	108.9330	0.000	1	108.8651	0.047	12	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2H){1|S<4>,4|C<3>}	H(C[6]C[6]N[6]H)	108.8270	0.007	2	108.8270	0.000	2	108.8651	0.047	12	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HO){1|S<4>,4|C<3>}	H(C[6]C[6]N[6]H)	108.7780	0.018	2	108.7780	0.000	2	108.8651	0.047	12	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CH3){1|S<4>,4|C<3>}	H(C[6]C[6]N[6]H)	108.7840	0.013	2	108.7840	0.000	2	108.8651	0.047	12	108.6110	1.436	55	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]O[6]O)(H)2{1|N<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2830	0.008	2	109.2830	0.000	2	108.3820	0.294	20	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0005	0.008	2	108.2819	0.222	18	108.3820	0.294	20	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.4675	0.433	8	108.2819	0.222	18	108.3820	0.294	20	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{5|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	107.9166	0.114	8	108.2819	0.222	18	108.3820	0.294	20	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O){1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4068	0.132	4	109.2437	0.063	16	109.2437	0.063	16	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O){1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1395	0.260	10	109.2437	0.063	16	109.2437	0.063	16	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(O[6]C[6])(O){1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4385	0.023	2	109.2437	0.063	16	109.2437	0.063	16	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9290	0.030	2	108.9290	0.001	2	108.9290	0.001	2	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|C<3>,2|C<4>}	H(C[6]C[6]2H)	107.7297	0.851	6	107.7297	0.725	6	108.1675	0.510	28	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.4660	0.000	1	108.8633	0.118	3	108.1675	0.510	28	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.0620	0.004	2	108.8633	0.118	3	108.1675	0.510	28	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|O<1>,2|C<3>}	H(C[6]C[6]2H)	107.3672	0.116	4	107.3672	0.013	4	108.1675	0.510	28	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]O)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.2525	0.041	11	108.2525	0.002	11	108.1675	0.510	28	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]O)2(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.8688	0.937	4	108.8688	0.878	4	108.1675	0.510	28	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	111.6255	5.451	2	111.6255	29.714	2	111.6255	29.714	2	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]O[6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]H)(N[6]C[6]C)(H)2{1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8455	0.118	4	109.8455	0.014	4	109.8455	0.014	4	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(O)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.2330	0.020	2	108.7652	0.629	8	108.7173	0.433	12	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(O)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(O){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.8435	0.035	2	108.7652	0.629	8	108.7173	0.433	12	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(O)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2{3|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(O){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4922	0.088	4	108.7652	0.629	8	108.7173	0.433	12	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(O)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(O){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8965	0.008	2	108.8965	0.000	2	108.7173	0.433	12	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(O)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]O)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	108.3465	0.006	2	108.3465	0.000	2	108.7173	0.433	12	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]H)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8670	0.007	2	109.8670	0.000	2	109.9375	0.007	4	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]H)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0080	0.013	2	110.0080	0.000	2	109.9375	0.007	4	108.7395	1.126	88	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]O[6]O)2(H)2	C[6](C[6]C[6]HH)(O[6]Nb[6])(OC)	H(C[6]C[6]2H)	C[6](C[6]O[6]O)2(H)2{1|Nb<6>}	C[6](C[6]C[6]HH)(O[6]Nb[6])(OC){3|Cl<1>,3|O<2>}	H(C[6]C[6]2H)	108.4290	0.029	3	108.4290	0.001	3	108.4290	0.001	3	108.4290	0.001	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:N-3:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(NC[6a]C)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.1150	0.095	2	108.1150	0.009	2	108.1150	0.009	2	108.1150	0.009	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(CHHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(CHHN){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	106.9295	0.022	2	106.9295	0.000	2	106.9295	0.000	2	108.2748	1.509	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:2:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](C[6]N[6]C)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]N[6])(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]C)(N[6]C[6]N)(H)2{1|N<3>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]N[6])(CH3){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6]H)	109.1717	0.031	3	109.1717	0.001	3	109.1717	0.001	3	108.2748	1.509	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	B[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](B[6]N[6]N)(C[6]C[6]H)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]H)(H)	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]N)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]B[6]HH)(C[6]C[6]H)(H){2|H<1>,2|N<3>}	H(C[6]B[6]C[6]H)	109.1855	2.718	4	109.1855	7.390	4	109.1855	7.390	4	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<2>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	110.0250	0.120	2	110.0250	0.014	2	109.9109	2.619	9	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.6540	0.000	1	110.7190	2.132	5	109.9109	2.619	9	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|P<4>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.9852	1.540	4	110.7190	2.132	5	109.9109	2.619	9	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	107.7765	0.069	2	107.7765	0.005	2	109.9109	2.619	9	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.1905	0.022	2	109.1115	0.009	4	109.3779	0.069	10	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.0325	0.012	2	109.1115	0.009	4	109.3779	0.069	10	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5805	0.005	2	109.6480	0.006	4	109.3779	0.069	10	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7155	0.019	2	109.6480	0.006	4	109.3779	0.069	10	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3705	0.015	2	109.3705	0.000	2	109.3779	0.069	10	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(O)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[5a,6]C[6]H)	108.9057	0.011	3	108.9057	0.000	3	108.9057	0.000	3	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.6697	0.214	4	109.4762	3.893	24	109.5820	4.125	26	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4375	2.167	20	109.4762	3.893	24	109.5820	4.125	26	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6,6]HH)(C[6]N[6]C)(H){1|Ni<4>,2|C<3>}	H(C[6]C[6,6]C[6]H)	110.8520	3.178	2	110.8520	10.098	2	109.5820	4.125	26	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	106.4780	0.074	2	106.4780	0.005	2	106.4780	0.005	2	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]C)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]C)(H){1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8825	0.022	2	108.8825	0.000	2	110.0032	3.409	26	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	111.3097	1.802	6	110.3364	3.757	20	110.0032	3.409	26	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	107.9685	0.325	2	110.3364	3.757	20	110.0032	3.409	26	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	112.2805	1.653	2	110.3364	3.757	20	110.0032	3.409	26	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8615	0.022	2	110.3364	3.757	20	110.0032	3.409	26	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.6850	0.018	2	110.3364	3.757	20	110.0032	3.409	26	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	110.5467	1.885	6	110.3364	3.757	20	110.0032	3.409	26	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7310	1.121	2	109.7310	1.258	2	110.0032	3.409	26	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]C)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2{1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]C)(H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.0630	0.437	2	108.0630	0.191	2	110.0032	3.409	26	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[5,6,6]O)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[5,6,6]O)(O){2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.5930	0.000	1	108.5930	0.000	1	108.0552	1.303	35	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O){2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	105.0310	0.373	2	105.3800	1.372	4	108.0552	1.303	35	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O){2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	105.7290	1.868	2	105.3800	1.372	4	108.0552	1.303	35	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O){1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6710	0.000	1	108.1252	0.073	6	108.0552	1.303	35	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	108.0160	0.044	5	108.1252	0.073	6	108.0552	1.303	35	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	107.9790	0.122	7	107.9790	0.015	7	108.0552	1.303	35	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0518	0.220	9	108.8395	0.228	13	108.0552	1.303	35	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8695	0.008	2	108.8395	0.228	13	108.0552	1.303	35	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	107.8540	0.025	2	108.8395	0.228	13	108.0552	1.303	35	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.0757	0.062	4	108.0757	0.004	4	108.0552	1.303	35	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]C[6]O)(C)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<1>,1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	122.6850	0.000	1	122.6850	0.000	1	122.6850	0.000	1	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:D-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(D)(H)	C[6](C[6]C[6]DH)(C[6]N[6]H)(H)	H(C[6]C[6]2D)	C[6](C[6]C[6]C)(C[6]C[6]H)(D)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]DH)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2D)	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)2{1|Br<1>,1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(Br){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3160	0.308	4	109.3160	0.095	4	109.3160	0.095	4	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]H)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]H)(Cl){1|C<3>,1|S<4>}	H(C[6]C[6]2H)	111.7060	1.601	2	111.7060	2.563	2	110.4259	0.993	8	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:	C[6](C[6]C[6]Cl)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6]Cl)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(Cl){1|Cl<1>,1|B<3>,1|C<3>}	H(C[6]C[6]2H)	109.9992	0.060	6	109.9992	0.004	6	110.4259	0.993	8	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	107.3900	0.000	1	108.4313	0.814	3	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9520	0.045	2	108.4313	0.814	3	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|S<2>,2|C<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8070	0.014	2	108.8070	0.000	2	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2H)	107.2695	0.059	4	107.2695	0.004	4	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|B<4>,1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.3625	0.928	4	108.6786	0.729	16	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2H)	107.7860	0.031	2	108.6786	0.729	16	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.0660	0.023	4	108.6786	0.729	16	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.0872	0.980	4	108.6786	0.729	16	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6110	0.048	2	108.6786	0.729	16	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	107.7020	0.082	2	109.2113	13.325	18	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.7320	6.762	5	109.2113	13.325	18	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2491	1.942	11	109.2113	13.325	18	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	106.9815	0.122	2	106.9815	0.015	2	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4735	0.016	2	108.4735	0.000	2	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	109.8658	0.096	4	109.5459	0.472	8	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.1435	1.559	2	109.5459	0.472	8	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]2H)	109.3085	0.053	2	109.5459	0.472	8	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<3>,1|C<4>}	H(C[6]C[6]2H)	109.3930	0.038	2	109.3930	0.001	2	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|W<7>}	H(C[6]C[6]2H)	108.6800	0.076	2	108.6800	0.006	2	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2870	0.010	2	109.2870	0.000	2	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	107.9520	0.038	2	107.9520	0.001	2	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	107.3868	0.386	10	107.3868	0.149	10	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	106.9920	0.122	2	106.9920	0.015	2	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.0555	0.110	2	109.0555	0.012	2	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<2>,2|N<3>}	H(C[6]C[6]2H)	108.1175	0.088	2	108.1175	0.008	2	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]B[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|Si<4>,1|B<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]B[6]H)(H){1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.1118	1.050	4	108.1118	1.102	4	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]B[6]Si)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|Si<4>,1|B<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]B[6]Si)(H){1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.2832	0.715	4	108.2832	0.512	4	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]B)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]B)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.3860	0.007	2	107.3860	0.000	2	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.6445	0.083	2	108.5992	0.716	18	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.5640	0.008	2	108.5992	0.716	18	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.8200	0.011	2	108.5992	0.716	18	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0607	0.635	12	108.5992	0.716	18	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.5580	0.048	2	108.8062	1.612	49	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.6295	0.018	2	108.8062	1.612	49	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.4467	0.179	4	108.8062	1.612	49	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0135	0.026	2	108.8062	1.612	49	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.5220	0.020	2	108.8062	1.612	49	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	107.2157	0.075	4	108.8062	1.612	49	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0760	0.000	1	108.8062	1.612	49	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0273	0.067	3	108.8062	1.612	49	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1857	0.069	3	108.8062	1.612	49	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	111.5497	0.078	4	108.8062	1.612	49	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3457	0.059	8	108.8062	1.612	49	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4292	0.653	4	108.8062	1.612	49	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1013	1.273	10	108.8062	1.612	49	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.5295	0.066	2	107.5295	0.004	2	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,1|N<3>,1|N<4>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|Ru<7>,1|B<5>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.4970	0.000	1	109.4970	0.000	1	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.5395	0.028	2	109.4391	1.272	30	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	108.6045	0.052	2	109.4391	1.272	30	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	108.1516	0.240	8	109.4391	1.272	30	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.7553	0.032	3	109.4391	1.272	30	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	109.9223	0.044	11	109.4391	1.272	30	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	110.8152	1.945	4	109.4391	1.272	30	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)2{1|Pt<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	107.7580	0.000	1	107.7580	0.000	1	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]Ge[6]P)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]Ge[6]P)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|Ge<4>,1|P<2>}	H(C[6]C[6]2H)	108.6885	0.052	2	108.6885	0.003	2	108.7305	2.374	192	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.0136	0.063	5	108.0136	0.004	5	108.0208	1.820	125	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]O)2(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	H(C[6]C[6]2H)	107.6868	0.071	12	107.6868	0.005	12	108.0208	1.820	125	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]O)2(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(C[6]C[6]2H)	108.0583	1.447	108	108.0583	2.094	108	108.0208	1.820	125	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]O)(N[6]N[6]C)(Br)(H)	C[6](C[6]N[6]BrH)(C[6]C[6]Br)(O)	H(C[6]C[6]N[6]Br)	C[6](C[6]C[6]O)(N[6]N[6]C)(Br)(H){1|Br<1>,2|C<3>}	C[6](C[6]N[6]BrH)(C[6]C[6]Br)(O){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]Br)	109.6220	0.000	1	109.6220	0.000	1	109.6220	0.000	1	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]B[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]B[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|B<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.1165	0.763	4	108.1165	0.582	4	109.4763	0.688	38	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6230	0.247	4	109.4859	0.136	7	109.4763	0.688	38	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0275	0.015	2	109.4859	0.136	7	109.4763	0.688	38	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8540	0.000	1	109.4859	0.136	7	109.4763	0.688	38	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]P)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]P)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3210	0.011	2	109.3210	0.000	2	109.4763	0.688	38	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	109.7152	0.163	4	109.7152	0.027	4	109.4763	0.688	38	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2627	0.094	4	109.3922	0.047	6	109.4763	0.688	38	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6510	0.091	2	109.3922	0.047	6	109.4763	0.688	38	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5280	0.011	2	109.5280	0.000	2	109.4763	0.688	38	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	109.6870	0.000	1	109.9193	1.267	11	109.4763	0.688	38	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.4410	0.044	2	109.9193	1.267	11	109.4763	0.688	38	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|S<4>}	H(C[6]C[6]N[6]H)	108.7245	0.015	2	109.9193	1.267	11	109.4763	0.688	38	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.5157	1.197	6	109.9193	1.267	11	109.4763	0.688	38	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]N[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	109.6040	0.082	2	109.6040	0.007	2	109.4763	0.688	38	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]O)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]O)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(O){1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	111.8610	2.796	2	111.8610	7.817	2	111.8610	7.817	2	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	105.7305	0.887	2	107.9261	0.863	35	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	108.0710	0.007	2	107.9261	0.863	35	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.0104	0.828	27	107.9261	0.863	35	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	108.3822	0.096	4	107.9261	0.863	35	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7080	0.025	2	108.2718	1.467	12	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){3|C<3>}	H(C[6]C[6]N[6]H)	108.0275	0.645	4	108.2718	1.467	12	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.2382	2.178	4	108.2718	1.467	12	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.3915	0.016	2	108.2718	1.467	12	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.8795	0.047	2	107.8795	0.002	2	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	104.6710	3.123	2	104.6710	9.751	2	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0155	4.133	2	107.9640	8.063	45	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	107.9151	2.826	43	107.9640	8.063	45	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]Mo)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|Mo<12>,1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]Mo)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.4635	0.685	2	108.4635	0.469	2	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.3620	0.068	2	108.3620	0.005	2	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	108.3695	0.066	2	108.3695	0.004	2	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(O){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.3110	0.006	2	108.3110	0.000	2	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	108.6240	0.010	2	108.6240	0.000	2	107.9662	4.149	106	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]S[6]H)	108.7370	0.021	2	108.5470	0.049	4	109.5013	3.061	6	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]S[6]H)	108.3570	0.035	2	108.5470	0.049	4	109.5013	3.061	6	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(S[6]S[6]W)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]H)(S[6]S[6]W)(H)2{1|C<4>,1|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|S<2>,1|W<6>,2|H<1>}	H(C[6]C[6]S[6]H)	111.4100	2.056	2	111.4100	4.228	2	109.5013	3.061	6	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(S[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]O)(S[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	109.5860	0.010	2	109.5860	0.000	2	109.5860	0.000	2	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[5,6]H)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[5,6]H)(H){1|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.5795	0.156	4	109.5795	0.024	4	109.6387	0.102	15	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H){1|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.0030	0.062	2	109.6746	0.146	10	109.6387	0.102	15	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H){4|C<4>}	H(C[6]N[5,6]C[6]H)	109.8425	0.162	8	109.6746	0.146	10	109.6387	0.102	15	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.5170	0.000	1	109.5170	0.000	1	109.6387	0.102	15	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(H)2	C[6](C[6]N[5,6]HH)(N[6]N[6]H)(O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>}	H(C[6]N[5,6]C[6]H)	107.9505	0.688	2	107.9505	0.473	2	107.9505	0.473	2	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]Br)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]I)(Br)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]Br)(H)2{1|C<4>,1|I<1>,3|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]I)(Br){4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.5670	0.013	2	109.5670	0.000	2	109.5670	0.000	2	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]H)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]H)(H){3|C<3>}	H(C[6]N[5a,6]C[6]H)	109.9150	0.014	2	109.9150	0.000	2	109.5612	0.085	6	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2{1|C<4>,4|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	109.2290	0.000	1	109.2290	0.000	1	109.5612	0.085	6	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	109.3880	0.000	1	109.3855	0.000	2	109.5612	0.085	6	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	109.3830	0.000	1	109.3855	0.000	2	109.5612	0.085	6	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]N[5a,6]C[6]H)	109.5370	0.000	1	109.5370	0.000	1	109.5612	0.085	6	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:I-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]I)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]I)(I)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]I)(H)2{1|C<4>,1|I<1>,3|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]I)(I){4|C<3>}	H(C[6]N[5a,6]C[6]H)	109.5295	0.013	2	109.5295	0.000	2	109.5295	0.000	2	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(H)2	C[6](C[6]N[5a,6]HH)(N[6]C[6]H)(O)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[5a,6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	109.2048	0.159	4	109.2048	0.025	4	109.0993	0.737	6	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2	C[6](C[6]N[5a,6]HH)(N[6]N[6]H)(O)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,2|N<2>}	C[6](C[6]N[5a,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|N<2>}	H(C[6]N[5a,6]C[6]H)	108.8885	1.865	2	108.8885	3.477	2	109.0993	0.737	6	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.0400	0.027	2	109.0400	0.001	2	109.4784	0.921	17	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[5,6]H)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.2435	0.043	4	109.2435	0.002	4	109.4784	0.921	17	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]N[6,6]C[6]H)	108.5230	0.010	2	108.5230	0.000	2	109.4784	0.921	17	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	110.2204	1.312	5	110.2194	1.231	7	109.4784	0.921	17	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	110.2170	0.704	2	110.2194	1.231	7	109.4784	0.921	17	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	108.7485	0.019	2	108.7485	0.000	2	109.4784	0.921	17	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2	C[6](C[6]N[6,6]HH)(N[6]C[6]C)(O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]N[6,6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[6,6]C[6]H)	108.5320	0.011	2	108.5320	0.000	2	108.5320	0.000	2	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	110.3800	2.558	2	111.6118	19.767	4	110.0298	5.591	16	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	112.8435	6.833	2	111.6118	19.767	4	110.0298	5.591	16	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.8050	0.006	2	108.3667	0.422	4	110.0298	5.591	16	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9285	0.049	2	108.3667	0.422	4	110.0298	5.591	16	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]N[6]C)(H){3|C<3>}	H(C[6]C[6]N[6]H)	109.7330	0.030	2	109.7330	0.001	2	110.0298	5.591	16	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2{2|C<4>,3|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.3785	0.695	4	110.3785	0.483	4	110.0298	5.591	16	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]N[6]H)	109.7910	0.023	2	109.7910	0.001	2	110.0298	5.591	16	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6]C[6]Si)(C[6]N[6]O)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]Si)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Si)(C[6]N[6]O)(H)2{1|Si<4>,1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]Si)(O){1|Si<4>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6090	0.607	6	108.6090	0.369	6	108.6090	0.369	6	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:1:	4:	S[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](S[6]S[6]Ru)(C[6]C[6]H)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]S[6]Ru)(C[6]C[6]H)(H)2{1|Ru<6>,1|C<4>,1|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]H)(H){1|Ru<6>,1|S<3>,2|H<1>}	H(C[6]C[6]S[6]H)	109.5090	0.271	4	109.5090	0.073	4	109.5090	0.073	4	108.7402	3.111	679	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:2:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]I)(OC)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H)2{1|I<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]I)(OC){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]C[6]H)	106.8635	0.456	2	106.8635	0.208	2	107.8618	1.398	4	109.4513	6.926	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:2:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]C[6]H)	108.8600	0.006	2	108.8600	0.000	2	107.8618	1.398	4	109.4513	6.926	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:2:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(CN)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(CN){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8160	0.028	2	108.8160	0.001	2	108.8160	0.001	2	109.4513	6.926	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:2:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5a]O[6])(OH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5a]O[6])(OH){1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2620	0.057	2	109.2620	0.003	2	109.2620	0.003	2	109.4513	6.926	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:2:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(NS)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(NS){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	109.4513	6.926	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:2:	4:	C[6]-3:C[6]-3:C-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]C[6]O)(C)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH){1|C<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2C)	121.3600	0.000	1	121.3600	0.000	1	121.3600	0.000	1	109.4513	6.926	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:2:	4:	C[6]-3:C[6]-3:D-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(D)(H)	C[6](C[6]C[6]DH)(C[6]N[6]H)(CN)	H(C[6]C[6]2D)	C[6](C[6]C[6]C)(C[6]C[6]H)(D)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]DH)(C[6]N[6]H)(CN){1|C<3>,2|H<1>}	H(C[6]C[6]2D)	112.4170	0.000	1	112.4170	0.000	1	112.4170	0.000	1	109.4513	6.926	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN){1|B<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7735	2.495	4	108.7735	6.223	4	109.3312	2.353	10	109.4513	6.926	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.8907	0.061	4	109.8907	0.004	4	109.3312	2.353	10	109.4513	6.926	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]F)(CC)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|C<4>,1|F<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]F)(CC){2|C<3>}	H(C[6]C[6]2H)	109.3275	0.054	2	109.3275	0.003	2	109.3312	2.353	10	109.4513	6.926	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6670	0.010	2	108.6670	0.000	2	108.2855	0.195	4	109.4513	6.926	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.9040	0.040	2	107.9040	0.002	2	108.2855	0.195	4	109.4513	6.926	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:2:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(OC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	109.1850	0.061	2	109.1850	0.004	2	109.1850	0.004	2	109.4513	6.926	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:2:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]C)(OS)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]C)(OS){1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[5,6]C[6]H)	109.4795	0.607	2	109.4795	0.369	2	109.4795	0.369	2	109.4513	6.926	29	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[4,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[4,6]C[4,4]C[4,6])(C[6]C[6]C)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(COO)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,4]C[4,6])(C[6]C[6]C)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	110.0948	0.419	8	110.0948	0.175	8	110.0948	0.175	8	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0722	0.102	4	109.0722	0.010	4	109.0722	0.010	4	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7620	0.033	4	108.6574	0.013	8	108.6574	0.013	8	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5528	0.024	4	108.6574	0.013	8	108.6574	0.013	8	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2668	0.086	6	108.2668	0.007	6	109.8739	9.088	12	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCI)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCI){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	112.5918	4.248	4	112.5918	18.046	4	109.8739	9.088	12	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[6a]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[6a]H){2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2595	0.033	2	109.2595	0.001	2	109.8739	9.088	12	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9445	0.023	2	108.9445	0.001	2	108.9445	0.001	2	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0553	0.008	3	109.0553	0.000	3	108.7856	0.428	39	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCS)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCS){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.7500	0.035	2	107.7500	0.001	2	108.7856	0.428	39	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	110.1270	0.451	2	110.1270	0.204	2	108.7856	0.428	39	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.4880	0.041	2	108.4880	0.002	2	108.7856	0.428	39	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.7010	0.033	2	108.7010	0.001	2	108.7856	0.428	39	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]C)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]C){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.6745	0.861	6	108.6745	0.741	6	108.7856	0.428	39	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4213	0.076	7	108.4213	0.006	7	108.7856	0.428	39	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3889	0.107	7	108.3889	0.011	7	108.7856	0.428	39	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO){1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.7360	0.040	2	109.7360	0.002	2	108.7856	0.428	39	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.1165	0.005	2	109.1165	0.000	2	108.7856	0.428	39	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|C<4>,1|F<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO){1|C<2>,1|C<3>}	H(C[6]C[6]2H)	109.3665	0.046	2	109.3665	0.002	2	108.7856	0.428	39	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|N<2>,1|S<4>}	H(C[6]C[6]2H)	109.5915	0.015	2	109.5915	0.000	2	108.7856	0.428	39	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4200	0.034	2	108.4200	0.001	2	108.4200	0.001	2	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[5a]2)	H(C[6]C[6]2O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	H(C[6]C[6]2O)	118.8940	0.000	1	118.8940	0.000	1	118.8940	0.000	1	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]H){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2700	0.035	2	109.2700	0.001	2	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CCH){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2728	0.430	6	109.2728	0.185	6	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6917	0.210	7	109.6917	0.044	7	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4317	0.256	11	109.4317	0.065	11	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<2>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	109.2963	0.123	3	109.5489	0.068	98	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5618	0.199	64	109.5489	0.068	98	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6027	0.351	27	109.5489	0.068	98	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1675	0.120	4	109.5489	0.068	98	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.9940	0.021	2	108.9940	0.000	2	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	108.6520	0.191	7	108.6520	0.037	7	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]N[6]H)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2{1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]N[6]HH)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	109.0800	0.058	2	109.0800	0.003	2	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8270	0.200	3	109.8270	0.040	3	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.6470	0.013	2	109.6743	0.001	4	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7015	0.030	2	109.6743	0.001	4	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]H){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	109.1310	0.048	4	109.1310	0.002	4	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]O){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4260	0.091	2	109.4260	0.008	2	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHH){1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	111.2460	1.983	4	111.2460	3.934	4	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHO){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	109.3295	0.047	4	109.3295	0.002	4	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	110.1624	0.911	12	110.1624	0.830	12	109.5600	0.327	168	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO){3|C<4>}	H(C[6]C[6]N[6]H)	109.6735	0.479	4	109.6735	0.230	4	109.6735	0.230	4	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	N[4,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(H)2	C[6](C[6]N[4,6]HH)(C[6]C[6]C)(CB[5]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]N[4,6]HH)(C[6]C[6]C)(CB[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[4,6]C[6]H)	109.6320	0.021	2	109.6320	0.000	2	109.6320	0.000	2	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6a]N[6])(CHO)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6a]N[6])(CHO){1|H<1>,1|N<2>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	109.8835	0.059	2	109.8835	0.003	2	109.8835	0.003	2	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]C)(CHH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]C)(CHH){2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.4815	0.046	2	108.4815	0.002	2	108.4815	0.002	2	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]N[6]C)(COO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[6]HH)(C[6]N[6]C)(COO){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.0365	0.191	23	109.0365	0.036	23	109.2631	0.946	36	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.3780	0.021	2	109.3780	0.000	2	109.2631	0.946	36	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|H<1>,2|S<2>}	C[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]O){1|C<3>,1|C<4>}	H(C[6]C[6]N[6]H)	108.9625	0.039	2	108.9625	0.002	2	109.2631	0.946	36	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCC)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCC){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8833	1.852	9	109.8833	3.432	9	109.2631	0.946	36	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(CHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(CHH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2170	0.013	2	109.2170	0.000	2	109.2170	0.000	2	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:3:	4:	P[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](P[6]N[6]Cl)(C[6]C[6]N)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]H)(NC[6a]H)	H(C[6]C[6]P[6]H)	C[6](P[6]N[6]Cl)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>}	C[6](C[6]P[6]HH)(C[6]C[6]H)(NC[6a]H){1|Cl<1>,1|C<4>,1|N<3>}	H(C[6]C[6]P[6]H)	109.0415	0.011	2	109.0415	0.000	2	109.0415	0.000	2	109.4279	1.134	294	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	As[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](As[6,6]P[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]As[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]As[6,6]C[6]H)	C[6](As[6,6]P[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,1|W<6>,2|H<1>,3|C<4>}	C[6](C[6]As[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,2|H<1>}	H(C[6]As[6,6]C[6]H)	109.1827	0.768	4	109.1827	0.590	4	109.1827	0.590	4	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	108.9320	0.061	4	108.9320	0.004	4	108.9320	0.004	4	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.4735	0.060	2	108.4735	0.004	2	108.4735	0.004	2	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]H)(CC3)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]H)(CC3){3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0835	0.128	2	109.0835	0.016	2	109.0835	0.016	2	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.4760	0.020	2	108.5535	0.009	4	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6310	0.038	2	108.5535	0.009	4	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.1140	0.000	1	110.1140	0.000	1	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8872	1.234	6	108.8872	1.524	6	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.5170	2.694	2	110.5170	7.258	2	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.1880	0.033	2	107.1880	0.001	2	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.8070	0.021	2	107.8070	0.000	2	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	106.9475	0.071	2	107.8700	2.556	3	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7150	0.000	1	107.8700	2.556	3	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8150	0.000	1	108.8150	0.000	1	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	118.4440	0.000	1	118.4440	0.000	1	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[5]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[5]HH){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.2930	0.033	2	107.2930	0.001	2	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	106.3505	0.114	2	106.3505	0.013	2	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]P)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.7350	0.112	2	107.7350	0.012	2	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	108.8280	0.010	2	108.8280	0.000	2	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3990	0.000	1	108.4987	1.403	3	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5485	1.671	2	108.4987	1.403	3	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3760	0.047	2	108.3760	0.002	2	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Al<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	109.1706	0.105	7	109.2731	0.021	15	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.2647	0.043	4	109.2731	0.021	15	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Mg<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	109.4608	0.037	4	109.2731	0.021	15	108.8260	3.196	50	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8760	0.000	1	108.8760	0.000	1	110.8307	5.879	3	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(SC[6a]OO)	H(C[6]C[6]2H)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(SC[6a]OO){1|Cl<1>,1|C<3>}	H(C[6]C[6]2H)	111.8080	2.455	2	111.8080	6.027	2	110.8307	5.879	3	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CC3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CC3){1|C<4>,1|O<1>,1|S<4>}	H(C[6]C[6]N[6]H)	111.1370	0.297	2	111.1370	0.088	2	109.5060	2.721	40	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH){1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	107.2680	1.179	2	107.2680	1.391	2	109.5060	2.721	40	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.1097	0.312	13	109.1841	0.957	15	109.5060	2.721	40	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6675	3.419	2	109.1841	0.957	15	109.5060	2.721	40	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]N[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	113.2793	0.999	4	113.2793	0.997	4	109.5060	2.721	40	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2{1|C<3>,1|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.9835	0.019	2	109.9065	0.008	4	109.5060	2.721	40	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2{1|C<3>,1|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<4>}	H(C[6]C[6]N[6]H)	109.8295	0.030	2	109.9065	0.008	4	109.5060	2.721	40	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]O[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]O[6]C)(H)2{2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7115	0.033	2	109.7115	0.001	2	109.5060	2.721	40	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{1|Mo<6>,2|N<3>,3|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|P<3>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.5710	0.668	4	108.5001	0.252	11	109.5060	2.721	40	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{1|Mo<6>,2|N<3>,3|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<4>}	H(C[6]C[6]N[6]H)	108.7845	0.180	4	108.5001	0.252	11	109.5060	2.721	40	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{2|N<3>,3|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<3>}	H(C[6]C[6]N[6]H)	108.0263	0.178	3	108.5001	0.252	11	109.5060	2.721	40	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:P[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(P[6]N[6]2)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]P[6]H)	C[6](C[6]C[6]C)(P[6]N[6]2)(H)2{2|P<3>,3|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|N<3>}	H(C[6]C[6]P[6]H)	107.4280	0.258	4	108.0538	0.980	6	108.0538	0.980	6	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:P[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(P[6]N[6]2)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]P[6]H)	C[6](C[6]C[6]C)(P[6]N[6]2)(H)2{2|P<4>,3|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|N<3>}	H(C[6]C[6]P[6]H)	109.3055	0.035	2	108.0538	0.980	6	108.0538	0.980	6	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,1|S<2>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.0350	0.010	2	109.0350	0.000	2	109.0350	0.000	2	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]N[6]H)	109.6275	0.070	2	109.6275	0.005	2	109.0602	0.137	8	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]P[5,6]Si)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]P[5,6]Si)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|Si<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8712	0.140	6	108.8712	0.020	6	109.0602	0.137	8	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	P[3,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[3,6]P[3,6]P[3])(C[6]C[6]C)(H)2	C[6](C[6]P[3,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[3,6]C[6]H)	C[6](P[3,6]P[3,6]P[3])(C[6]C[6]C)(H)2{1|P<2>,2|C<4>}	C[6](C[6]P[3,6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<3>}	H(C[6]P[3,6]C[6]H)	108.2665	0.049	4	108.2665	0.002	4	108.2665	0.002	4	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	P[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2{2|C<4>,4|C<3>}	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]P[5,6]C[6]H)	109.0900	0.008	2	109.0900	0.000	2	110.8748	2.802	6	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	P[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[5,6]P[5,6]C[5])(C[6]C[6]C)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]P[5,6]C[5])(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	H(C[6]P[5,6]C[6]H)	112.7400	0.774	2	112.7400	0.598	2	110.8748	2.802	6	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	P[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[5,6]P[5,6]N[5])(C[6]C[6]C)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]P[5,6]N[5])(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|N<3>,1|P<3>,2|H<1>}	H(C[6]P[5,6]C[6]H)	110.7945	0.262	2	110.7945	0.069	2	110.8748	2.802	6	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	P[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,2|H<1>}	H(C[6]P[6,6]C[6]H)	109.2490	1.006	4	109.2490	1.013	4	109.2490	1.013	4	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	P[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6]C[5]P[6])(C[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]P[6]H)	C[6](P[6]C[5]P[6])(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|N<3>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	H(C[6]C[6]P[6]H)	110.7910	0.024	2	110.7910	0.001	2	109.5847	1.940	4	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	P[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6]C[6a]P[6])(C[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]P[6])(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	H(C[6]C[6]P[6]H)	108.3785	0.022	2	108.3785	0.000	2	109.5847	1.940	4	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	S[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](S[6]C[6]Pt)(C[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6]Pt)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|Pt<4>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	107.9695	0.008	2	107.9695	0.000	2	109.0095	0.504	10	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:3:4:	4:	S[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](S[6]S[6]Ru)(C[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]S[6]H)	C[6](S[6]S[6]Ru)(C[6]C[6]C)(H)2{1|Ru<6>,2|C<4>}	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|Ru<6>,1|S<3>,2|H<1>}	H(C[6]C[6]S[6]H)	109.2695	0.511	8	109.2695	0.261	8	109.0095	0.504	10	109.1559	2.424	149	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5a,6]C[6]H)	109.3085	0.006	2	109.3085	0.000	2	109.3085	0.000	2	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.8030	0.008	2	108.8030	0.000	2	108.8030	0.000	2	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HH)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HH)(O){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.0830	0.000	1	108.0830	0.000	1	108.0830	0.000	1	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5345	0.016	2	108.5345	0.000	2	108.5345	0.000	2	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,5,6]O)(C[6]C[6]H)(H)2	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]O)(C[6]C[6]H)(H)2{2|H<1>,3|C<4>}	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(C[6]C[6]HH)(O){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5430	0.088	2	108.5430	0.008	2	108.5430	0.008	2	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2735	0.023	2	109.2735	0.001	2	110.1342	0.445	6	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]N[5,6]O)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]N[5,6]O)(H)2{4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.5645	0.035	4	110.5645	0.001	4	110.1342	0.445	6	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,5,6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]O)(C[6]C[6]H)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.5830	0.052	2	108.5830	0.003	2	108.3436	0.198	20	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1265	0.090	2	109.1265	0.008	2	108.3436	0.198	20	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2098	0.441	12	108.2159	0.143	16	108.3436	0.198	20	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2340	0.015	4	108.2159	0.143	16	108.3436	0.198	20	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.3015	0.019	2	109.3015	0.000	2	108.9515	0.474	24	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(O){1|C<3>,1|C<4>}	H(C[6]C[6]2H)	110.3865	0.019	2	110.3865	0.000	2	108.9515	0.474	24	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3025	0.005	2	109.3025	0.000	2	108.9515	0.474	24	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.0268	0.062	6	108.0268	0.004	6	108.9515	0.474	24	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.1025	0.021	2	109.1025	0.000	2	108.9515	0.474	24	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.4450	0.010	2	108.4450	0.000	2	108.9515	0.474	24	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]O)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.1115	0.042	2	109.2047	0.013	4	108.9515	0.474	24	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]O)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.2980	0.035	2	109.2047	0.013	4	108.9515	0.474	24	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)2(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]O)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.0860	0.021	2	109.1953	0.016	4	108.9515	0.474	24	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)2(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]O)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.3045	0.022	2	109.1953	0.016	4	108.9515	0.474	24	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]O)(N[6]C[6]S)(H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]O)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]HH)(O){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8350	0.024	2	108.8350	0.001	2	108.8350	0.001	2	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(O){1|C<3>,1|O<2>,2|C<4>}	H(C[6]N[6,6]C[6]H)	109.0422	0.127	4	109.0422	0.016	4	109.0422	0.016	4	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	N[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>}	H(C[6]N[6,6a]C[6]H)	108.7845	0.023	2	108.7845	0.001	2	108.7845	0.001	2	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)2	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4270	0.008	2	109.4270	0.000	2	109.4270	0.000	2	108.8585	0.506	69	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:2:	4:	C[6]-3:C[6]-3:H-1:H-1:	Ge[6]-4:C[6]-4:P-2:	C[6]-4:	C[6](C[6]Ge[6]P)(C[6]C[6]H)(H)2	C[6](Ge[6]C[6a]O[6]C)(C[6]C[6]HH)(PC[6a])	H(C[6]C[6]2H)	C[6](C[6]Ge[6]P)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](Ge[6]C[6a]O[6]C)(C[6]C[6]HH)(PC[6a]){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.6910	0.025	2	108.6910	0.001	2	108.6910	0.001	2	109.1232	0.250	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:2:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(C[6]N[6]HH)(NO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]N[6]HH)(NO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5555	0.030	2	109.5555	0.001	2	109.5555	0.001	2	109.1232	0.250	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)(CN[5]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)(CN[5]H){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6195	0.035	2	109.6195	0.001	2	109.6195	0.001	2	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(CHH){3|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.2795	0.016	2	108.2795	0.000	2	108.2795	0.000	2	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)2(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)2(H)2{1|C<4>,1|H<1>,2|N<3>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCC){3|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1750	0.027	2	109.1750	0.001	2	109.1750	0.001	2	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[5]C[5]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	107.3480	0.000	1	107.3480	0.000	1	107.3480	0.000	1	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3690	0.000	1	109.3690	0.000	1	109.2662	0.156	5	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6310	0.014	2	109.6310	0.000	2	109.2662	0.156	5	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8500	0.040	2	108.8500	0.002	2	109.2662	0.156	5	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.3600	0.068	2	109.3600	0.005	2	109.5121	0.183	15	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	109.3340	0.045	2	109.3340	0.002	2	109.5121	0.183	15	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(CHH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3350	0.000	1	109.3350	0.000	1	109.5121	0.183	15	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2){1|C<4>,1|O<1>}	H(C[6]C[6]2H)	110.4075	0.012	2	110.4075	0.000	2	109.5121	0.183	15	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.3487	0.043	4	109.3487	0.002	4	109.5121	0.183	15	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)2(CN[5]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5115	0.808	2	109.5115	0.653	2	109.5121	0.183	15	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HO)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(CHH){1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.3630	0.011	2	109.3630	0.000	2	109.5121	0.183	15	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	106.7355	1.684	2	106.7355	2.835	2	106.7355	2.835	2	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:P-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(PC[6a]2Ru)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(PC[6a]2Ru)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.5095	0.018	2	107.5095	0.000	2	107.3619	0.185	10	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:P-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(PC[6a]AgC)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(PC[6a]AgC)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.1505	0.242	4	107.1505	0.059	4	107.3619	0.185	10	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:P-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(PC[6a]RhC)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(PC[6a]RhC)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.4995	0.631	4	107.4995	0.398	4	107.3619	0.185	10	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2995	0.273	4	109.2995	0.075	4	109.5837	0.239	6	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(CHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(CHH){1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.1520	0.030	2	110.1520	0.001	2	109.5837	0.239	6	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]N[6]HH)(CCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8660	0.034	2	108.8660	0.001	2	109.2862	0.172	21	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2623	0.344	6	109.2623	0.118	6	109.2862	0.172	21	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.0220	0.004	2	108.7720	0.086	4	109.2862	0.172	21	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.5220	0.082	2	108.7720	0.086	4	109.2862	0.172	21	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]F)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]F){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6710	0.119	7	109.6710	0.014	7	109.2862	0.172	21	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]N){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4595	0.042	2	109.4595	0.002	2	109.2862	0.172	21	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(CC[5,6]HH)(C[6]C[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(CC[5,6]HH)(C[6]C[6]H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5635	0.107	2	109.5635	0.011	2	109.5635	0.011	2	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH){1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.8865	0.016	2	108.8865	0.000	2	109.4417	0.673	32	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]H){1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8850	0.313	6	109.8850	0.098	6	109.4417	0.673	32	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CC[6a]Cl)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CC[6a]Cl){1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	108.8285	0.039	2	108.8285	0.002	2	109.4417	0.673	32	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CC[6a]C)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CC[6a]C){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9555	0.019	2	108.9555	0.000	2	109.4417	0.673	32	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CHH){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7225	0.008	2	109.7225	0.000	2	109.4417	0.673	32	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.9145	0.054	2	109.9145	0.003	2	109.4417	0.673	32	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CCH){1|B<4>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.5510	0.021	2	109.5510	0.000	2	109.4417	0.673	32	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7970	0.047	2	109.7970	0.002	2	109.4417	0.673	32	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)2(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)2(CC[6a]H){1|C<4>,2|S<4>}	H(C[6]C[6]N[6]H)	109.3342	0.084	4	109.3342	0.007	4	109.4417	0.673	32	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)2(CHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)2(CHH){1|C<4>,2|S<4>}	H(C[6]C[6]N[6]H)	109.8683	2.108	4	109.8683	4.442	4	109.4417	0.673	32	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]S[6]C)(H)2	C[6](C[6]N[6]HH)2(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]S[6]C)(H)2{1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]N[6]HH)2(CC[6a]H){1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	108.6385	0.030	2	108.6385	0.001	2	109.4417	0.673	32	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]S[6]H)(H)2	C[6](C[6]N[6]HH)2(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]S[6]H)(H)2{1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]N[6]HH)2(CC[6a]H){1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	108.7135	0.015	2	108.7135	0.000	2	109.4417	0.673	32	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH){3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	112.4775	2.015	2	112.4775	4.058	2	109.4693	3.817	30	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH){3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	109.5072	2.113	18	109.5072	4.466	18	109.4693	3.817	30	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	108.0803	0.257	6	108.0803	0.066	6	109.4693	3.817	30	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CHH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.8780	0.058	4	109.8780	0.003	4	109.4693	3.817	30	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CHH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CHH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[5,6]C[6]H)	114.3040	0.578	2	114.3040	0.335	2	114.3040	0.335	2	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	108.9562	0.115	4	108.6330	0.259	6	108.6330	0.259	6	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	107.9865	0.016	2	108.6330	0.259	6	108.6330	0.259	6	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCH){2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.7135	0.958	2	109.7135	0.918	2	109.4267	0.233	6	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCH){2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.2832	0.019	4	109.2832	0.000	4	109.4267	0.233	6	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]H)	109.5475	1.834	2	109.5475	3.362	2	109.0383	1.479	4	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH){4|C<3>}	H(C[6]C[6]N[6]H)	108.5290	0.194	2	108.5290	0.038	2	109.0383	1.479	4	109.2471	1.792	148	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:B-4:	C[6]-4:	C[6](C[6]C[6]B)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(BC[6a]3)	H(C[6]C[6]2H)	C[6](C[6]C[6]B)(C[6]C[6]C)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(BC[6a]3){3|C<4>}	H(C[6]C[6]2H)	106.8010	0.061	4	106.8010	0.004	4	106.8010	0.004	4	107.0971	0.199	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]B)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CF3)	H(C[6]C[6]2H)	C[6](C[6]C[6]B)(C[6]C[6]C)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CF3){1|B<4>,2|C<4>}	H(C[6]C[6]2H)	106.7935	0.076	4	106.7935	0.006	4	107.2451	0.236	8	107.0971	0.199	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	C[6](C[6]C[6]HH)2(CF3)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CF3){1|B<4>,2|C<4>}	H(C[6]C[6]2H)	107.6968	0.036	4	107.6968	0.001	4	107.2451	0.236	8	107.0971	0.199	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	3:2:4:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-3:N[6]-2:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]HO)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H){1|C<4>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]HO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]O)	111.1333	1.651	3	111.1333	2.726	3	111.0923	1.824	4	111.0923	1.824	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	3:2:4:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-3:N[6]-2:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]HO)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]HO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]O)	110.9690	0.000	1	110.9690	0.000	1	111.0923	1.824	4	111.0923	1.824	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	3:4:1:	4:	C[6]-3:N[6]-3:O-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(OC)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]HO)(O)	H(C[6]C[6]N[6]O)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]HO)(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]O)	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	108.6517	1.172	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	3:4:1:	4:	C[6]-3:N[6]-3:S-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(SC)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]HS)(O)	H(C[6]C[6]N[6]S)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(SC)(H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]HS)(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	H(C[6]C[6]N[6]S)	107.7970	0.000	1	107.7970	0.000	1	107.7970	0.000	1	108.6517	1.172	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H){3|C<3>}	H(C[6]C[6]N[6]C)	107.4770	0.000	1	107.4770	0.000	1	108.6283	1.090	3	108.6517	1.172	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CN)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CN)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H){3|C<3>}	H(C[6]C[6]N[6]C)	109.2040	0.438	2	109.2040	0.192	2	108.6283	1.090	3	108.6517	1.172	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	3:4:1:	4:	N[6]-3:C[6]-3:O-2:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]N[6]O)(OH)(H)	C[6](N[6]C[5,6]C)(C[6]N[6]HO)(O)	H(C[6]C[6]N[6]O)	C[6](N[6]C[5,6]C)(C[6]N[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[5,6]C)(C[6]N[6]HO)(O){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]O)	109.5080	0.000	1	109.5080	0.000	1	108.4465	2.254	2	108.6517	1.172	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	3:4:1:	4:	N[6]-3:C[6]-3:O-2:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HO)(O)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]HO)(O){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]O)	107.3850	0.000	1	107.3850	0.000	1	108.4465	2.254	2	108.6517	1.172	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]C[6]O)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H){1|H<1>,1|O<2>,3|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]C[6]O){1|S<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]N[6])	108.9280	0.000	1	108.9280	0.000	1	108.9280	0.000	1	109.0247	3.564	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	3:4:3:	4:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CC[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CC[6a]H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	109.0247	3.564	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	3:4:3:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]O[6]C)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HO)(C[6]C[6]H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6a]C[6])(N[6]O[6]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HO)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]O)	107.1870	0.000	1	107.1870	0.000	1	107.1870	0.000	1	109.0247	3.564	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:2:1:	4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(O)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]HO)(O[6]C[6])(O){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	108.5525	0.110	2	108.5525	0.012	2	108.5525	0.012	2	107.7167	2.102	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:2:1:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	106.0450	0.000	1	106.0450	0.000	1	106.0450	0.000	1	107.7167	2.102	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:2:2:	4:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(OC)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(OC){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3057	0.490	3	107.3057	0.240	3	107.3057	0.240	3	107.3057	0.240	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[5a,6]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[5a,6]C[6]O)	107.6200	0.000	1	107.6200	0.000	1	107.6200	0.000	1	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[5a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]C[6])(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[5a]C[6]O[6])	107.3630	0.000	1	107.3630	0.000	1	107.3630	0.000	1	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H)	C[6](C[6]C[6,6a]HS)(N[6]C[6]C)(O)	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HS)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]S)	108.6735	0.303	2	108.6735	0.092	2	108.6735	0.092	2	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CC)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2C)	96.4771	0.000	1	96.4771	0.000	1	96.4771	0.000	1	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6]-3:C[6]-3:N-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)2(NN)(H)	C[6](C[6]C[6]HN)(N[6]C[6]H)(O)	H(C[6]C[6]2N)	C[6](C[6]N[6]O)2(NN)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	H(C[6]C[6]2N)	90.0760	0.020	2	90.0760	0.000	2	90.0760	0.000	2	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]H)2(OSi)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2O)	108.3285	0.049	2	108.3285	0.002	2	108.3285	0.002	2	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CN)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CN)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.1850	0.000	1	107.1850	0.000	1	107.1850	0.000	1	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H)	C[6](C[6]N[6]HO)(C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]HO)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6]O)	108.2560	0.000	1	108.2560	0.000	1	108.0985	0.050	2	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(OH)(H)	C[6](C[6]N[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6]S)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]N[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|S<4>}	H(C[6]C[6]N[6]O)	107.9410	0.000	1	107.9410	0.000	1	108.0985	0.050	2	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H)	C[6](C[6]N[6]HO)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]O)	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]HO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]O)	108.3500	0.000	1	108.3500	0.000	1	108.3500	0.000	1	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9440	0.000	1	108.9440	0.000	1	108.4730	1.813	7	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.4690	0.317	2	107.9217	0.949	3	108.4730	1.813	7	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	106.8270	0.000	1	107.9217	0.949	3	108.4730	1.813	7	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	109.9310	0.000	1	109.9310	0.000	1	108.4730	1.813	7	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	106.6500	0.000	1	106.6500	0.000	1	108.4730	1.813	7	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	110.0210	0.000	1	110.0210	0.000	1	108.4730	1.813	7	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	C[6a]-3:C[6]-3:S[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(S[6]C[6])(H)	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(O)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(S[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(O){1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]S[6])	106.0750	0.000	1	106.0750	0.000	1	106.0750	0.000	1	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H)	C[6](C[6]N[5,6]HO)(C[6]C[6]H)(H)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]O)	107.0280	0.000	1	107.0280	0.000	1	107.0280	0.000	1	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]H)(OH)(H)	C[6](C[6]N[5a,6]HO)(C[6]C[6,6a]H)(H)	H(C[6]N[5a,6]C[6]O)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]H)(OH)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]HO)(C[6]C[6,6a]H)(H){3|C<3>}	H(C[6]N[5a,6]C[6]O)	108.2450	0.000	1	108.2450	0.000	1	109.2965	2.211	2	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC)(H)	C[6](C[6]N[5a,6]HO)(C[6]C[6]H)(H)	H(C[6]N[5a,6]C[6]O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]HO)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]N[5a,6]C[6]O)	110.3480	0.000	1	110.3480	0.000	1	109.2965	2.211	2	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:1:	4:	N[5a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]H)(H)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]H)(O[6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]N[5a]C[6]O[6])	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	106.2106	30.073	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:2:	4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6])	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]){3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]O)	108.8910	0.000	1	108.8910	0.000	1	108.8910	0.000	1	107.4705	5.012	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:2:	4:	C[6]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]N[6,6])	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])(H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]N[6,6]){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9410	0.000	1	107.9410	0.000	1	107.9410	0.000	1	107.4705	5.012	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:2:	4:	C[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[5]-3:S[6]-2:	C[6]-4:	C[6](C[6]C[5]S[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6])	H(C[6]C[6a]C[6]S[6])	C[6](C[6]C[5]S[6])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	104.1790	0.000	1	104.1790	0.000	1	104.1790	0.000	1	107.4705	5.012	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:2:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(OH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(OH){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.8710	0.000	1	108.8710	0.000	1	108.8710	0.000	1	107.4705	5.012	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]C)(COO)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]C)(COO){2|C<3>}	H(C[6]C[6,6a]C[6]N)	108.5790	0.000	1	108.5790	0.000	1	108.5790	0.000	1	108.6696	2.171	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CC[6a]C)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CC[6a]C){2|C<3>}	H(C[6]C[6,6a]C[6]O)	110.3000	0.000	1	110.3000	0.000	1	110.3000	0.000	1	108.6696	2.171	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H)	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO)	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO){2|C<3>}	H(C[6]C[6,6a]C[6]S)	107.6155	0.189	2	107.6155	0.036	2	107.6155	0.036	2	108.6696	2.171	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(CC)(H)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CC)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.5815	0.018	2	108.5815	0.000	2	108.5815	0.000	2	108.6696	2.171	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:3:	4:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]O[6])	106.8180	0.284	2	106.8180	0.081	2	106.8180	0.081	2	108.6696	2.171	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:3:	4:	C[6]-3:O[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(O[6]C[6]Re)(O[6]C[6])(H)	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]N[6])(O[6]C[6]Re)(O[6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]O[6]2)	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	108.6696	2.171	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	110.8900	0.000	1	109.3755	4.587	2	109.0010	2.714	3	108.6696	2.171	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8610	0.000	1	109.3755	4.587	2	109.0010	2.714	3	108.6696	2.171	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|N<2>,1|S<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2520	0.000	1	108.2520	0.000	1	109.0010	2.714	3	108.6696	2.171	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(COO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	109.7755	0.409	2	109.7755	0.168	2	109.7755	0.168	2	108.6696	2.171	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:S[6]-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])(H)	C[6](C[6]C[6a]S[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]N[6]C)(COO){3|C<3>}	H(C[6]C[6a]C[6]S[6])	107.1250	0.000	1	107.1250	0.000	1	107.1250	0.000	1	108.6696	2.171	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:4:1:	4:	N[6]-3:C[6]-3:C-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]O)(CC)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]O)(CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(O){3|C<3>}	H(C[6]C[6]N[6]C)	107.4427	1.128	3	107.4427	1.272	3	107.4427	1.272	3	107.4427	1.272	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(CHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(CHH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	108.1060	0.000	1	108.1060	0.000	1	108.1060	0.000	1	108.0325	1.954	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:4:3:	4:	C[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H)	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	H(C[6]C[6,6]C[6]O[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H){4|H<1>,6|C<4>}	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O[6])	107.8850	0.000	1	107.8850	0.000	1	107.8850	0.000	1	108.0325	1.954	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:4:3:	4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	H(C[6]C[6,6a]C[6]O)	107.0760	0.000	1	107.0760	0.000	1	107.0760	0.000	1	108.0325	1.954	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:4:3:	4:	C[6]-3:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(CHH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[5]O[6])	106.6850	0.000	1	106.6850	0.000	1	106.6850	0.000	1	108.0325	1.954	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:4:3:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(CHH)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HO)(CHH){1|N<2>,2|C<3>}	H(C[6]C[6]N[6]O)	111.0310	0.000	1	111.0310	0.000	1	111.0310	0.000	1	108.0325	1.954	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:4:3:	4:	C[6]-3:S[6]-3:S[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]2)(S[6]C[6]O)(S[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]S[6]2H)(C[6]C[6]H)	H(C[6]C[6]S[6]2)	C[6](C[6]C[6]2)(S[6]C[6]O)(S[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]2H)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]2)	107.9120	0.000	1	107.9120	0.000	1	107.9120	0.000	1	108.0325	1.954	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]Br)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]Br){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	106.9020	0.000	1	106.9020	0.000	1	107.9075	1.921	4	108.0325	1.954	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	107.4440	0.767	2	107.4440	0.588	2	107.9075	1.921	4	108.0325	1.954	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:2:1:	4:4:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN[5]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	109.8400	0.000	1	109.8400	0.000	1	107.9075	1.921	4	108.0325	1.954	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[5]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){2|H<1>,4|C<4>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9610	0.000	1	106.9610	0.000	1	106.9610	0.000	1	106.9610	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:1:	4:	C[6]-3:C[6]-3:N-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NHH)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2N)	118.8150	0.000	1	118.8150	0.000	1	118.8150	0.000	1	108.8706	13.475	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:1:	4:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NHH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HN)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2N)	118.2110	0.000	1	118.2110	0.000	1	118.2110	0.000	1	108.8706	13.475	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.0510	0.000	1	108.0510	0.000	1	107.6146	0.773	5	108.8706	13.475	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.2310	0.000	1	106.2310	0.000	1	107.6146	0.773	5	108.8706	13.475	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.5470	0.000	1	107.5470	0.000	1	107.6146	0.773	5	108.8706	13.475	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|S<4>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.6060	0.000	1	108.6060	0.000	1	107.6146	0.773	5	108.8706	13.475	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6380	0.000	1	107.6380	0.000	1	107.6146	0.773	5	108.8706	13.475	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	108.8706	13.475	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-3:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H){1|O<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.5340	0.000	1	107.5340	0.000	1	107.5340	0.000	1	108.8706	13.475	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]CH)(O){1|C<3>,3|C<4>}	H(C[6]C[6]N[6]C)	106.9865	0.524	2	106.9865	0.275	2	106.9865	0.275	2	108.8706	13.475	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<2>,7|C<3>}	H(C[6]C[6a]C[6]2)	107.6560	0.000	1	107.8200	0.098	4	107.8200	0.098	4	108.8706	13.475	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<2>,7|C<3>}	H(C[6]C[6a]C[6]2)	107.8747	0.359	3	107.8200	0.098	4	107.8200	0.098	4	108.8706	13.475	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCS)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCS)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	108.8706	13.475	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]S)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(H){1|O<2>,1|S<4>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	108.8706	13.475	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:2:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6a]C[6]H)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,2|C<3>,3|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6a]C[6]H)(CN){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.8240	0.000	1	106.8240	0.000	1	106.8240	0.000	1	106.8240	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H){1|C<4>,3|H<1>,7|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	106.6300	0.000	1	106.6300	0.000	1	106.6300	0.000	1	107.8041	0.676	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:3:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(CC[6a]O)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CC[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O){4|C<3>}	H(C[6]C[6]2C)	109.0610	0.000	1	109.0610	0.000	1	109.1560	0.018	2	107.8041	0.676	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:3:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(COO)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(COO)(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O){4|C<3>}	H(C[6]C[6]2C)	109.2510	0.000	1	109.2510	0.000	1	109.1560	0.018	2	107.8041	0.676	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	107.8041	0.676	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO){2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6980	0.000	1	107.6980	0.000	1	107.6980	0.000	1	107.8041	0.676	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:3:	4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[4,6]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[4,6]C[4,6]C[4])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[4,6]C[4,6]C[4])(C[6]C[6a]N[6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	107.8041	0.676	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:3:	4:	C[6]-3:N[6]-3:C-3:H-1:	N[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(CCH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(CCH){1|S<4>,4|C<3>}	H(C[6]C[6]N[6]C)	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	107.8041	0.676	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:3:	4:	N[5,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CC[6a]I)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CC[6a]I){1|H<1>,1|N<3>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.0740	0.000	1	108.0740	0.000	1	108.0740	0.000	1	107.8041	0.676	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:3:	4:	N[5a,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(CHH)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(CHH){1|H<1>,6|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	107.9905	0.414	2	107.9905	0.171	2	107.9905	0.171	2	107.8041	0.676	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:3:	4:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CC[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CC[6a]H){2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1490	0.000	1	107.1490	0.000	1	107.1490	0.000	1	107.8041	0.676	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:4:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){2|C<4>,4|C<3>}	H(C[6]C[6]2C)	107.8820	0.000	1	107.8820	0.000	1	107.8820	0.000	1	108.0010	2.875	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:4:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3){2|C<4>,3|C<3>}	H(C[6]C[6]2C)	106.7270	0.000	1	106.7270	0.000	1	106.7270	0.000	1	108.0010	2.875	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:4:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3){2|C<3>,2|C<4>}	H(C[6]C[6]2C)	107.8660	0.000	1	107.8660	0.000	1	107.2740	0.701	2	108.0010	2.875	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:4:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|C<3>,2|C<4>}	H(C[6]C[6]2C)	106.6820	0.000	1	106.6820	0.000	1	107.2740	0.701	2	108.0010	2.875	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	3:4:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(CH3)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(CH3){1|H<1>,1|S<4>,5|C<3>}	H(C[6]C[6a]C[6]2)	110.8480	0.000	1	110.8480	0.000	1	110.8480	0.000	1	108.0010	2.875	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:1:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]O[6]O)(N[6]C[6]O)(H)	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(O)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]2)(C[6]O[6]O)(N[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	107.4860	0.000	1	107.4860	0.000	1	108.0820	0.317	3	107.6958	3.790	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:1:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]O[6]O)(N[6]C[6]O)(H)	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(O)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]N[5a])(C[6]O[6]O)(N[6]C[6]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	108.3800	0.318	2	108.3800	0.101	2	108.0820	0.317	3	107.6958	3.790	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:1:	4:	C[6,6a]-3:C-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6]P[6])(C[6]O[6]O)(H)	C[6](C[6]C[6,6a]CH)(O[6]N[6])(O)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6]P[6])(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]N[6])(O){1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	107.6958	3.790	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:1:	4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6]P)(H)	C[6](C[6]C[6,6a]CH)(O[6]N[6])(O)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6]P)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]N[6])(O){1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	109.2020	0.000	1	109.2020	0.000	1	109.2020	0.000	1	107.6958	3.790	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:1:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	110.1590	0.000	1	110.1590	0.000	1	110.1590	0.000	1	107.6958	3.790	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:1:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.6300	1.525	2	107.6300	2.324	2	107.6300	2.324	2	107.6958	3.790	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-2:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6])(H){4|C<3>}	H(C[6]C[6a]C[6]2)	105.5840	0.000	1	105.5840	0.000	1	105.5840	0.000	1	107.6958	3.790	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-2:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(O){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	104.3330	3.060	2	104.3330	9.366	2	104.3330	9.366	2	107.6958	3.790	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9300	0.000	1	108.1835	0.129	2	108.1835	0.129	2	107.6958	3.790	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4370	0.000	1	108.1835	0.129	2	108.1835	0.129	2	107.6958	3.790	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:1:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(O){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2810	0.000	1	108.2810	0.000	1	108.1515	0.034	2	107.6958	3.790	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:1:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(O){1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0220	0.000	1	108.0220	0.000	1	108.1515	0.034	2	107.6958	3.790	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(N[6]N[6])(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]N[6])(COO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	107.9175	0.205	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(N[6]N[6])(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]N[6])(COO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	107.9175	0.205	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:2:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CHH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CHH){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5280	0.078	2	107.5280	0.006	2	107.5280	0.006	2	107.9175	0.205	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[5]C[5]S[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[5]H)(C[6]O[6]H)(H)	H(C[6]C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6]C[5])(C[5]C[5]S[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C[5]H)(C[6]O[6]H)(H){1|C<2>,1|S<2>,2|C<3>}	H(C[6]C[5,6]C[5]C[6])	110.6170	0.000	1	110.6170	0.000	1	110.6170	0.000	1	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H){1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	109.0470	0.000	1	109.0470	0.000	1	109.0470	0.000	1	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[5]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5]N[5]2)(C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)2(H){2|H<1>,5|C<3>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	H(C[6]C[5]C[6]2)	106.0475	0.005	2	106.0475	0.000	2	106.0475	0.000	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]H)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]H)(H){4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.6660	0.000	1	108.6660	0.000	1	108.0207	0.341	3	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.8680	0.000	1	107.8680	0.000	1	108.0207	0.341	3	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.5280	0.000	1	107.5280	0.000	1	108.0207	0.341	3	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6,6]C[6a])(O)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6,6]C[6a])(O){1|C<4>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]H)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)2(H){2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[5a]C[6]2)	106.9810	0.018	2	106.9810	0.000	2	106.9810	0.000	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6a]H)(O)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6a]H)(O){1|C<4>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	106.0130	0.102	4	106.0130	0.010	4	105.7696	0.304	5	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]H)(C[6]N[6]O)(H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6]H)(O)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]H)(C[6]N[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	104.7960	0.000	1	104.7960	0.000	1	105.7696	0.304	5	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H){1|Br<1>,1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.2353	0.219	3	108.2353	0.048	3	108.2353	0.048	3	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.7660	0.834	2	107.7660	0.696	2	107.7660	0.696	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	110.5320	0.000	1	110.5320	0.000	1	109.0163	2.006	3	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.7260	0.000	1	107.7260	0.000	1	109.0163	2.006	3	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6a]O[6])(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H){1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6a]O[6])(H){4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.7910	0.000	1	108.7910	0.000	1	109.0163	2.006	3	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]2)	90.2240	0.148	2	90.2240	0.022	2	90.2240	0.022	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]N)	106.6380	0.037	2	106.6380	0.001	2	106.9457	0.285	3	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[5,6]H)(H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]C[5,6]H)(H){4|C<3>}	H(C[6]C[6,6a]C[6]N)	107.5610	0.000	1	107.5610	0.000	1	106.9457	0.285	3	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6])(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6])(H){1|S<2>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.6210	0.000	1	108.6210	0.000	1	107.6994	1.597	25	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2527	0.543	12	107.2527	0.295	12	107.6994	1.597	25	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5030	0.000	1	108.1202	0.127	5	107.6994	1.597	25	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8955	0.482	2	108.1202	0.127	5	107.6994	1.597	25	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2720	0.000	1	108.1202	0.127	5	107.6994	1.597	25	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6])(H){6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.0350	0.000	1	108.1202	0.127	5	107.6994	1.597	25	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.1360	0.000	1	108.1360	0.000	1	107.6994	1.597	25	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	111.6950	0.000	1	111.6950	0.000	1	107.6994	1.597	25	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.4590	0.000	1	108.4590	0.000	1	107.6994	1.597	25	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9852	1.973	4	106.9852	3.891	4	107.6994	1.597	25	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]N[5a]C[6])	107.2378	0.652	6	107.2285	0.316	8	107.2285	0.316	8	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6,6a]N[5a]C[6])	107.2005	0.296	2	107.2285	0.316	8	107.2285	0.316	8	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	109.6670	0.436	2	109.6670	0.190	2	109.2462	1.901	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	106.7270	0.000	1	106.7270	0.000	1	109.2462	1.901	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	110.1350	0.000	1	110.1350	0.000	1	109.2462	1.901	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CCO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	109.6405	1.230	2	109.6405	1.512	2	109.2462	1.901	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7320	0.000	1	106.7320	0.000	1	106.7320	0.000	1	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]H)2(NCH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2N)	119.2870	1.245	2	119.2870	1.549	2	113.8508	244.960	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(NC[6a]Fe)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]H)2(NC[6a]Fe)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2N)	104.5615	0.047	2	104.5615	0.002	2	113.8508	244.960	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(NOO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]N)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]H)2(NOO)(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]2N)	117.7037	31.014	2	117.7037	961.872	2	113.8508	244.960	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]H)2(N[6]C[6]2)(H){3|C<4>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N[6])	107.2165	0.016	2	107.2165	0.000	2	107.2165	0.000	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H){1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	109.0850	0.000	1	109.0850	0.000	1	109.6838	5.532	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6320	0.000	1	107.6320	0.000	1	109.6838	5.532	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	110.0150	0.000	1	110.0150	0.000	1	109.6838	5.532	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	114.2070	0.000	1	114.2070	0.000	1	109.6838	5.532	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Re<6>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.8020	0.000	1	108.8020	0.000	1	109.6838	5.532	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.3620	0.000	1	108.3620	0.000	1	109.6838	5.532	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	106.6820	0.000	1	106.6820	0.000	1	106.6820	0.000	1	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.2640	0.000	1	108.2640	0.000	1	108.1860	0.012	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.1080	0.000	1	108.1080	0.000	1	108.1860	0.012	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6440	0.000	1	107.5133	0.367	3	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4480	0.841	2	107.5133	0.367	3	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.7430	0.000	2	107.7575	0.038	4	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.7720	0.335	2	107.7575	0.038	4	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H){6|C<3>}	H(C[6]C[6a]C[6]2)	108.2515	0.127	2	108.2515	0.016	2	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	109.0240	0.000	1	108.2817	0.256	7	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){5|C<3>}	H(C[6]C[6a]C[6]2)	108.7330	0.000	1	108.2817	0.256	7	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9535	0.192	2	108.2817	0.256	7	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){5|C<3>}	H(C[6]C[6a]C[6]2)	108.5820	0.000	1	108.2817	0.256	7	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|O<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.8630	0.300	2	108.2817	0.256	7	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){4|C<3>}	H(C[6]C[6a]C[6]2)	108.4770	0.000	1	107.8085	0.894	2	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.1400	0.000	1	107.8085	0.894	2	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	109.4580	0.000	1	109.4580	0.000	1	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.3210	0.000	1	108.3210	0.000	1	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	109.2455	0.183	4	109.2455	0.033	4	108.2676	0.513	24	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6130	0.000	1	107.6130	0.000	1	108.0098	0.285	9	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9680	0.000	1	107.9680	0.000	1	108.0098	0.285	9	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0230	0.000	1	107.0230	0.000	1	108.0098	0.285	9	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7660	0.000	1	108.2867	0.182	4	108.0098	0.285	9	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1270	0.347	3	108.2867	0.182	4	108.0098	0.285	9	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6])(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5140	0.000	1	108.5140	0.000	1	108.0098	0.285	9	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H){1|S<4>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8230	0.000	1	107.8230	0.000	1	108.0098	0.285	9	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9680	0.000	1	106.9115	0.006	2	106.9115	0.006	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8550	0.000	1	106.9115	0.006	2	106.9115	0.006	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7170	0.000	1	107.7170	0.000	1	107.2458	1.292	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(O){1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6817	0.436	4	107.6817	0.190	4	107.2458	1.292	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	105.0310	0.000	1	105.0310	0.000	1	107.2458	1.292	6	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(H){5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5660	0.000	1	107.5660	0.000	1	107.5660	0.000	1	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[3,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]N[3,6]C[6a]H)(C[6]C[6]H)(H)	H(C[6]N[3,6]C[6a]C[6])	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]N[3,6]C[6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[3,6]C[6a]C[6])	106.9940	0.000	1	106.9940	0.000	1	106.9940	0.000	1	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]N[5,6]C[6a]C[6])	108.1990	0.000	1	108.1990	0.000	1	108.8450	0.835	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(H){4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	109.4910	0.000	1	109.4910	0.000	1	108.8450	0.835	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[5]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5]C[5]N[5])(C[6]C[6]H)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H)	H(C[6]C[6]2N[5])	C[6](N[5]C[5]N[5])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H){1|N<2>,1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	107.5780	0.016	2	107.5780	0.000	2	107.5780	0.000	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]Cl)(NCS)(H)	C[6](C[6]N[5a,6]HN)(C[6]C[6]H)(Cl)	H(C[6]N[5a,6]C[6]N)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]Cl)(NCS)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]HN)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]N[5a,6]C[6]N)	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(H)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,5|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.4510	0.557	3	108.4510	0.310	3	108.5837	0.277	4	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(H)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.9820	0.000	1	108.9820	0.000	1	108.5837	0.277	4	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]H)(O)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]H)(O){1|N<2>,2|C<4>,3|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	107.6780	0.000	1	107.6780	0.000	1	107.6780	0.000	1	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]N[5a]C[6]2)	108.0455	0.013	2	107.6243	0.237	4	107.6243	0.237	4	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|N<3>}	H(C[6]N[5a]C[6]2)	107.2030	0.027	2	107.6243	0.237	4	107.6243	0.237	4	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6]H)(C[6]C[6]H)(H)	H(C[6]C[5]C[6]N[6])	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	C[6](C[6]C[5]N[6]H)(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[5]C[6]N[6])	108.0070	0.000	1	108.0070	0.000	1	108.0070	0.000	1	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CSiC)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CSiC)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]C)	107.3230	0.021	2	107.3230	0.000	2	107.3230	0.000	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(NCH)(H)	C[6](C[6]N[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]N)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]N[6]HN)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]N)	109.1060	0.000	1	109.1060	0.000	1	108.3095	1.269	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H)	C[6](C[6]N[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]N)	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]HN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]N)	107.5130	0.000	1	107.5130	0.000	1	108.3095	1.269	2	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H){5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0150	0.000	1	107.1240	0.024	2	107.7429	0.468	7	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2330	0.000	1	107.1240	0.024	2	107.7429	0.468	7	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H){5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8050	0.000	1	107.5990	0.085	2	107.7429	0.468	7	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H){5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3930	0.000	1	107.5990	0.085	2	107.7429	0.468	7	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(H){1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4000	0.000	1	107.4000	0.000	1	107.7429	0.468	7	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(H){5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7930	0.000	1	108.7930	0.000	1	107.7429	0.468	7	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H){2|O<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5610	0.000	1	108.5610	0.000	1	107.7429	0.468	7	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]2)(O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]2)(O){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2810	0.000	1	107.2810	0.000	1	107.2810	0.000	1	107.9001	14.779	155	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CN)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CN){1|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.5290	0.000	1	108.5290	0.000	1	108.7230	0.078	4	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.4560	0.000	1	108.4560	0.000	1	108.7230	0.078	4	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|S<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.9535	0.135	2	108.9535	0.018	2	108.7230	0.078	4	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN){1|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.2900	0.000	1	108.2900	0.000	1	108.4510	0.015	6	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.4950	0.115	4	108.4950	0.013	4	108.4510	0.015	6	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){1|S<2>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.4360	0.000	1	108.4360	0.000	1	108.4510	0.015	6	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5a]C[6]2)	107.6570	0.011	2	107.8253	0.085	3	107.5217	0.425	4	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5a]C[6]2)	108.1620	0.000	1	107.8253	0.085	3	107.5217	0.425	4	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN){1|S<2>,3|C<3>}	H(C[6]C[5a]C[6]2)	106.6110	0.000	1	106.6110	0.000	1	107.5217	0.425	4	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CN){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.8900	0.000	2	107.8900	0.000	2	107.8900	0.000	2	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]N[6])(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]N[6])(CN){1|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.1690	0.000	2	107.1690	0.000	2	107.1690	0.000	2	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.3750	0.000	1	108.1344	0.077	5	107.9901	0.518	31	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.1860	0.404	2	108.1344	0.077	5	107.9901	0.518	31	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.9625	0.149	2	108.1344	0.077	5	107.9901	0.518	31	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.9220	0.000	1	107.8858	0.490	22	107.9901	0.518	31	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.4347	1.055	3	107.8858	0.490	22	107.9901	0.518	31	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.6240	0.000	1	107.8858	0.490	22	107.9901	0.518	31	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.4660	0.000	1	107.8858	0.490	22	107.9901	0.518	31	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.0584	0.339	13	107.8858	0.490	22	107.9901	0.518	31	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	109.1070	0.000	1	107.8858	0.490	22	107.9901	0.518	31	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.6230	0.000	1	107.8858	0.490	22	107.9901	0.518	31	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.6830	0.000	1	107.8858	0.490	22	107.9901	0.518	31	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|S<4>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.7680	0.000	1	107.7680	0.000	1	107.9901	0.518	31	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.5880	1.320	3	108.5880	1.743	3	107.9901	0.518	31	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.8045	0.011	2	107.8045	0.000	2	107.8045	0.000	2	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(CN)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(CN){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.0810	0.000	1	108.0810	0.000	1	108.0810	0.000	1	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NCS)(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6])	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NCS)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N)	109.8360	0.000	1	109.8360	0.000	1	109.8755	0.003	2	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NC[6a]S)(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6])	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NC[6a]S)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6]){3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]N)	109.9150	0.000	1	109.9150	0.000	1	109.8755	0.003	2	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5610	0.000	1	107.9486	0.262	19	107.8893	0.256	26	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.4890	0.000	1	107.9486	0.262	19	107.8893	0.256	26	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3224	0.367	5	107.9486	0.262	19	107.8893	0.256	26	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6767	0.403	10	107.9486	0.262	19	107.8893	0.256	26	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3320	0.000	1	107.9486	0.262	19	107.8893	0.256	26	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2620	0.000	1	107.9486	0.262	19	107.8893	0.256	26	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7286	0.487	7	107.7286	0.237	7	107.8893	0.256	26	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CN){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.0100	0.000	1	108.0100	0.000	1	107.6584	0.276	5	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,2|C<3>,3|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.7650	0.000	1	106.7650	0.000	1	107.6584	0.276	5	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC){6|C<3>}	H(C[6]C[6a]C[6]2)	107.9550	0.062	2	107.9550	0.004	2	107.6584	0.276	5	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]Br)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]Br)(CN){4|C<3>}	H(C[6]C[6a]C[6]2)	107.6070	0.000	1	107.6070	0.000	1	107.6584	0.276	5	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6])	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|S<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a]){1|O<2>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4170	0.161	2	102.3185	111.587	3	102.3185	111.587	3	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	90.1216	0.000	1	102.3185	111.587	3	102.3185	111.587	3	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.4475	0.653	2	108.4475	0.426	2	108.4475	0.426	2	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6a]C[6]2)	108.1218	0.336	6	108.1218	0.113	6	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7580	0.000	1	107.8662	0.084	4	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.9023	0.343	3	107.8662	0.084	4	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7900	0.000	2	107.7900	0.000	2	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|N<3>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7530	0.364	7	107.7530	0.133	7	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4400	0.033	2	107.4400	0.001	2	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.1154	0.117	10	108.1232	0.013	11	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.2010	0.000	1	108.1232	0.013	11	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){6|C<3>}	H(C[6]C[6a]C[6]2)	108.0460	0.000	1	108.0460	0.000	1	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.9800	0.000	1	108.3645	0.172	4	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.1593	0.071	3	108.3645	0.172	4	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CN){1|C<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.3695	0.015	2	108.3695	0.000	2	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.9240	0.000	1	107.8243	0.254	7	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2140	0.000	1	107.8243	0.254	7	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|Cl<1>,1|S<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2090	0.000	1	107.8243	0.254	7	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){5|C<3>}	H(C[6]C[6a]C[6]2)	108.1058	0.384	4	107.8243	0.254	7	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|Cl<1>,1|S<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CN){1|C<2>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2010	0.000	1	107.2010	0.000	1	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6a]C[6]2)	107.9019	0.169	7	108.0203	0.101	9	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6a]C[6]2)	108.7470	0.000	1	108.0203	0.101	9	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	H(C[6]C[6a]C[6]2)	108.1230	0.000	1	108.0203	0.101	9	107.9764	0.140	56	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:N-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(NC[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(NC[6a]){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3750	0.000	1	108.3750	0.000	1	108.3750	0.000	1	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<2>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN){1|N<2>,5|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:2:	4:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a])	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	107.8890	2.444	151	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]C)(COO)	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[5,6]C[5a]C[6])	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(CCO)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.7320	0.000	1	108.7320	0.000	1	108.6430	0.014	3	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.6890	0.000	1	108.6890	0.000	1	108.6430	0.014	3	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CNO)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CNO){5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.5080	0.000	1	108.5080	0.000	1	108.6430	0.014	3	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[5,6]C[6]N[6])	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>,3|N<3>}	H(C[6]C[5,6]C[6]N[6])	107.9240	0.000	1	107.1380	1.236	2	107.1380	1.236	2	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[5,6]C[6]N[6])	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]N[6])	106.3520	0.000	1	107.1380	1.236	2	107.1380	1.236	2	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C){2|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NCS)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]H)(COO)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NCS)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]H)(COO){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]N)	107.5560	0.000	1	107.5560	0.000	1	107.5560	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.0000	0.000	1	108.0000	0.000	1	108.5111	0.203	9	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(COO)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(COO){4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.7703	0.401	4	108.7703	0.160	4	108.5111	0.203	9	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(COO)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(COO){1|S<2>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.3798	0.426	4	108.3798	0.181	4	108.5111	0.203	9	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO)	H(C[6]C[6,6]C[5a]C[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6,6]C[5a]C[6])	107.7093	0.191	3	107.7093	0.037	3	107.7093	0.037	3	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)2(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	107.6065	0.012	2	107.6065	0.000	2	108.4021	0.308	40	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|N<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	108.4865	0.035	2	108.4865	0.001	2	108.4021	0.308	40	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|N<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	108.8364	0.239	14	108.7812	0.072	16	108.4021	0.308	40	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|N<3>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	108.3950	0.011	2	108.7812	0.072	16	108.4021	0.308	40	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5a]C[6]2)	108.4585	0.109	4	108.4585	0.012	4	108.4021	0.308	40	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5a]C[6]2)	108.1850	0.000	1	107.9038	0.242	5	108.4021	0.308	40	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5a]C[6]2)	107.8335	0.538	4	107.9038	0.242	5	108.4021	0.308	40	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5]N[6])(COO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[5]N[6])(COO){1|N<3>,2|H<1>,2|S<2>,3|C<3>}	H(C[6]C[5a]C[6]2)	108.4980	0.000	1	108.4980	0.000	1	108.4021	0.308	40	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[5a]C[6]2)	107.7270	0.000	1	107.7270	0.000	1	108.4021	0.308	40	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CCO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CCO){1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[5a]C[6]2)	108.0180	0.000	1	108.0180	0.000	1	108.4021	0.308	40	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[5a]C[6]2)	108.7682	0.024	4	108.7018	0.023	5	108.4021	0.308	40	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[5a]C[6]2)	108.4360	0.000	1	108.7018	0.023	5	108.4021	0.308	40	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]S[6]S)(CC[5a]O)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[6]C[5a]C[6]H)(C[6]S[6]S)(CC[5a]O){1|C<2>,1|S<2>,2|C<3>}	H(C[6]C[5a]C[6]2)	106.5720	0.000	1	106.5720	0.000	1	108.4021	0.308	40	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5a]C[6]2)	107.8610	0.016	2	107.8610	0.000	2	108.4021	0.308	40	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,1|S<2>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]N[6])	108.5505	0.261	2	108.1930	0.417	3	108.1453	0.182	6	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]N[6])	107.4780	0.000	1	108.1930	0.417	3	108.1453	0.182	6	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|N<3>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	108.0450	0.000	1	108.0450	0.000	1	108.1453	0.182	6	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	107.9560	0.000	1	107.9560	0.000	1	108.1453	0.182	6	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	108.2920	0.000	1	108.2920	0.000	1	108.1453	0.182	6	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.6790	0.000	1	107.6790	0.000	1	108.7710	0.904	3	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO){2|C<3>}	H(C[6]C[6,6]C[6]C)	109.4160	0.000	1	109.3170	0.020	2	108.7710	0.904	3	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)(H){1|N<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO){2|C<3>}	H(C[6]C[6,6]C[6]C)	109.2180	0.000	1	109.3170	0.020	2	108.7710	0.904	3	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CC[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.8050	0.000	2	107.8050	0.000	2	108.0644	0.064	5	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CCO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CCO){2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.0970	0.000	1	108.0970	0.000	1	108.0644	0.064	5	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[5a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[5a]O){2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.2940	0.000	1	108.2940	0.000	1	108.0644	0.064	5	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[6a]O){2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.3210	0.000	1	108.3210	0.000	1	108.0644	0.064	5	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[5a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N){1|C<4>,1|N<2>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.2660	0.000	1	108.2660	0.000	1	108.2660	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.2340	0.000	1	106.2340	0.000	1	108.0082	0.518	24	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.6585	0.295	2	108.2613	0.129	16	108.0082	0.518	24	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.4027	0.465	4	108.2613	0.129	16	108.0082	0.518	24	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.1252	0.261	10	108.2613	0.129	16	108.0082	0.518	24	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.7477	0.393	3	106.7477	0.154	3	108.0082	0.518	24	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.3565	0.103	2	108.2853	0.020	3	108.0082	0.518	24	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.1430	0.000	1	108.2853	0.020	3	108.0082	0.518	24	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.6840	0.000	1	108.6840	0.000	1	108.0082	0.518	24	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.1720	0.000	1	108.3134	0.424	5	108.3134	0.424	5	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.5987	0.149	4	108.3134	0.424	5	108.3134	0.424	5	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(COO)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(COO){1|S<2>,3|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.8870	0.471	2	107.8870	0.222	2	107.8870	0.222	2	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	H(C[6]C[6,6a]C[6,6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6])	106.8277	0.352	3	106.8277	0.124	3	106.8277	0.124	3	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.8580	0.000	1	109.2120	0.251	2	109.2120	0.251	2	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|O<1>,1|O<2>,3|N<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	H(C[6]C[6,6a]C[6]C)	109.5660	0.000	1	109.2120	0.251	2	109.2120	0.251	2	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)2	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]2)	90.0750	0.167	2	90.0750	0.028	2	90.0750	0.028	2	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(COO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(COO){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3670	0.000	1	108.3670	0.000	1	108.3670	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]H)(CHO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]H)(CHO){5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3310	0.000	1	108.3310	0.000	1	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(CCC)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(CCC){5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4010	0.000	1	107.4010	0.000	1	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(COO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|O<2>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(COO){5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4930	0.000	1	107.4930	0.000	1	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CHO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CHO){1|S<4>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2740	0.000	1	107.2740	0.000	1	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CSS)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CSS){6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3180	0.000	1	108.3180	0.000	1	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	110.6360	0.000	1	109.4215	2.950	2	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2070	0.000	1	109.4215	2.950	2	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O){5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.0740	0.000	1	108.0740	0.000	1	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(COO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(COO){5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5210	0.000	1	108.5210	0.000	1	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CC[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CC[6a]O){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5460	0.000	1	108.5460	0.000	1	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CNO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CNO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4790	0.000	1	107.4790	0.000	1	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(COO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(COO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3520	0.234	6	107.3520	0.055	6	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(CC[6a]O){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9440	0.000	1	107.9440	0.000	1	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5690	0.000	1	107.9305	0.242	14	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3607	0.363	4	107.9305	0.242	14	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7644	0.214	8	107.9305	0.242	14	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9000	0.000	1	107.9305	0.242	14	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.1380	0.000	1	106.3770	0.114	2	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.6160	0.000	1	106.3770	0.114	2	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5040	0.141	2	108.0901	0.138	7	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|F<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4950	0.000	1	108.0901	0.138	7	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.0320	0.179	4	108.0901	0.138	7	107.8719	0.520	41	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,3|O<2>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9340	0.265	3	108.1300	0.407	6	108.1300	0.407	6	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	109.3030	0.000	1	108.1300	0.407	6	108.1300	0.407	6	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.1800	0.000	1	108.1300	0.407	6	108.1300	0.407	6	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4950	0.000	1	108.1300	0.407	6	108.1300	0.407	6	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CC[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){2|C<3>}	H(C[6]C[6]2C)	109.0260	0.000	1	109.0260	0.000	1	109.1035	0.007	4	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(CCO)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(COO)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]C)(CCO){2|C<3>}	H(C[6]C[6]2C)	109.0990	0.000	1	109.0990	0.000	1	109.1035	0.007	4	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(COO)(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO){2|C<3>}	H(C[6]C[6]2C)	109.2160	0.000	1	109.1445	0.010	2	109.1035	0.007	4	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(COO)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO){2|C<3>}	H(C[6]C[6]2C)	109.0730	0.000	1	109.1445	0.010	2	109.1035	0.007	4	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]N)2(CCN)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO)	H(C[6]C[6]2C)	C[6](C[6]C[6]N)2(CCN)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2C)	107.9940	0.075	2	107.9940	0.006	2	107.9940	0.006	2	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6]-3:Ga-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])2(GaC[6a]C)(H)	C[6](C[6]C[6]GaH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]2Ga)	C[6](C[6]C[6a]C[6])2(GaC[6a]C)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6]GaH)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6]2Ga)	120.8200	0.054	2	120.8200	0.003	2	120.8200	0.003	2	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9650	0.000	1	107.9650	0.000	1	107.9114	0.137	7	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(CNO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(CNO){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.4670	0.000	1	107.4670	0.000	1	107.9114	0.137	7	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(COO){1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.5690	0.000	1	108.5690	0.000	1	107.9114	0.137	7	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(COO){1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6100	0.000	1	107.6100	0.000	1	107.9114	0.137	7	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|P<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9230	0.223	3	107.9230	0.050	3	107.9114	0.137	7	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]O[6])(C[6a]C[6a]2)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]O[6])(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Re<6>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.8090	0.000	1	108.8090	0.000	1	108.8090	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]C)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]C){1|C<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.9850	0.041	2	107.9850	0.002	2	108.0960	0.038	3	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.3180	0.000	1	108.3180	0.000	1	108.0960	0.038	3	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9935	0.402	2	107.9935	0.162	2	107.9935	0.162	2	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CHH)(H)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHH)(H){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.9070	0.025	2	107.9070	0.001	2	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO){1|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.5360	0.000	1	108.5360	0.000	1	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.0516	0.254	5	108.0516	0.064	5	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.4905	0.824	2	107.4905	0.679	2	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.2830	0.000	1	108.2830	0.000	1	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H){1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4575	0.135	2	107.4575	0.018	2	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7860	0.345	2	107.7860	0.119	2	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	109.0300	0.000	1	108.1790	1.448	2	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.3280	0.000	1	108.1790	1.448	2	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.5690	0.000	1	108.5690	0.000	1	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.1030	0.000	1	108.1030	0.000	1	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.4060	0.000	1	108.4060	0.000	1	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CNS)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CNS){1|C<2>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.2480	0.000	1	108.2480	0.000	1	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.7810	0.000	1	107.7405	0.003	2	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.7000	0.000	1	107.7405	0.003	2	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.3270	0.037	2	107.7099	0.158	9	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.9610	0.000	1	107.7099	0.158	9	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.4623	0.121	6	107.7099	0.158	9	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.5395	0.026	2	107.5395	0.001	2	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.9525	0.011	2	107.9525	0.000	2	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6380	0.000	1	108.2301	0.272	134	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.7480	0.000	1	108.2301	0.272	134	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.8240	0.000	1	108.2301	0.272	134	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.5583	0.414	23	108.2301	0.272	134	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.8356	0.149	5	108.2301	0.272	134	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.3545	0.013	2	108.2301	0.272	134	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.6913	0.243	29	108.2301	0.272	134	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.0859	0.359	62	108.2301	0.272	134	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	H(C[6]C[6a]C[6]2)	107.6520	0.085	2	108.2301	0.272	134	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.7870	0.146	4	108.2301	0.272	134	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	H(C[6]C[6a]C[6]2)	108.0187	0.454	4	108.2301	0.272	134	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.8768	0.458	10	108.8357	0.207	11	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){5|C<3>}	H(C[6]C[6a]C[6]2)	108.4250	0.000	1	108.8357	0.207	11	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){5|C<3>}	H(C[6]C[6a]C[6]2)	108.9360	0.018	2	108.8870	0.005	4	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){5|C<3>}	H(C[6]C[6a]C[6]2)	108.8380	0.061	2	108.8870	0.005	4	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO){5|C<3>}	H(C[6]C[6a]C[6]2)	108.4070	0.000	1	108.4070	0.000	1	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CNO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CNO){5|C<3>}	H(C[6]C[6a]C[6]2)	107.6180	0.000	1	107.6180	0.000	1	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO){5|C<3>}	H(C[6]C[6a]C[6]2)	108.0055	0.549	2	108.0055	0.302	2	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CHO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CHO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6500	0.000	1	107.6500	0.000	1	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO){1|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9675	0.029	2	107.9675	0.001	2	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CC[6a]O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CC[6a]O){1|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7330	0.000	1	107.7330	0.000	1	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO){4|C<3>}	H(C[6]C[6a]C[6]2)	108.3250	0.000	1	108.3250	0.000	1	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.3210	0.658	4	108.2863	0.198	9	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.0330	0.000	1	108.2863	0.198	9	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.1230	0.000	1	108.2863	0.198	9	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.7030	0.000	1	108.2863	0.198	9	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.1750	0.000	1	108.2863	0.198	9	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){4|C<3>}	H(C[6]C[6a]C[6]2)	108.2590	0.000	1	108.2863	0.198	9	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6a]C[6]2)	108.6440	0.000	1	108.6440	0.000	1	108.2077	0.287	204	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H){2|C<3>,3|C<2>,3|H<1>}	H(C[6]C[6a]C[6]2)	111.3930	0.000	1	111.3930	0.000	1	111.3930	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO){1|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7577	0.337	7	107.7577	0.113	7	107.5369	0.488	14	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.1650	0.000	1	107.1838	0.461	4	107.5369	0.488	14	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5080	0.000	1	107.1838	0.461	4	107.5369	0.488	14	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){2|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5310	0.008	2	107.1838	0.461	4	107.5369	0.488	14	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO){1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.1810	0.000	1	106.8375	0.862	2	107.5369	0.488	14	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO){1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.4940	0.000	1	106.8375	0.862	2	107.5369	0.488	14	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.8020	0.000	1	108.8020	0.000	1	107.5369	0.488	14	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9340	0.000	1	107.9850	0.005	2	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0360	0.000	1	107.9850	0.005	2	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|Cl<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO){2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6370	0.000	1	108.3300	0.188	2	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO){2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0230	0.000	1	108.3300	0.188	2	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.3560	0.000	1	106.3560	0.000	1	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.0730	0.314	7	106.0730	0.099	7	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7365	0.298	2	107.7365	0.089	2	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2580	1.105	2	107.9890	0.827	3	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4510	0.000	1	107.9890	0.827	3	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a]N[6])(CSS)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[5a]N[6])(CSS){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6500	0.000	1	107.6500	0.000	1	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4927	1.953	3	107.4927	3.815	3	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7790	0.218	5	107.7790	0.047	5	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9200	0.000	1	107.8400	0.359	9	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4690	0.000	1	107.8400	0.359	9	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2220	0.000	1	107.8400	0.359	9	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2574	0.145	5	107.8400	0.359	9	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6620	0.000	1	107.8400	0.359	9	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0027	0.164	4	108.2610	0.190	6	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5920	0.000	1	108.2610	0.190	6	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.9630	0.000	1	108.2610	0.190	6	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9007	0.569	3	108.1817	0.623	64	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9537	0.275	3	108.1817	0.623	64	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7075	0.712	2	108.1817	0.623	64	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0810	0.000	1	108.1817	0.623	64	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1603	0.668	28	108.1817	0.623	64	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2130	0.000	1	108.1817	0.623	64	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4163	1.170	17	108.1817	0.623	64	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7650	0.243	3	108.1817	0.623	64	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1740	0.000	1	108.1817	0.623	64	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4200	0.352	2	108.1817	0.623	64	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3695	0.156	2	108.1817	0.623	64	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7440	0.000	1	108.1817	0.623	64	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7670	0.000	1	107.7615	0.000	2	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7560	0.000	1	107.7615	0.000	2	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3430	0.000	1	108.3430	0.000	1	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2070	0.000	1	107.2544	0.217	7	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2623	0.510	6	107.2544	0.217	7	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]C)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CC[6a]O){1|C<4>,1|N<2>,2|C<3>}	H(C[6]C[6a]C[6]N[6])	108.9250	0.000	1	108.9250	0.000	1	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	107.5540	0.000	1	107.4798	0.259	10	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	107.1780	0.000	1	107.4798	0.259	10	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	107.5083	0.565	8	107.4798	0.259	10	107.8737	0.765	126	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]C)(CCC)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]C)(CCC){2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	107.0340	0.000	1	107.0340	0.000	1	107.0340	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]C[5a]H)(C[6]N[6]C)(COO)	H(C[6]N[5,6]C[5a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	C[6](C[6]N[5,6]C[5a]H)(C[6]N[6]C)(COO){1|S<2>,3|C<3>}	H(C[6]N[5,6]C[5a]C[6])	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.2400	0.000	1	108.2400	0.000	1	108.9833	0.469	7	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.8460	0.000	1	108.9510	0.075	4	108.9833	0.469	7	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.7460	0.000	1	108.9510	0.075	4	108.9833	0.469	7	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.8570	0.000	1	108.9510	0.075	4	108.9833	0.469	7	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	109.3550	0.000	1	108.9510	0.075	4	108.9833	0.469	7	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.5100	0.000	1	108.5100	0.000	1	108.9833	0.469	7	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(COO)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6a]C[6])	110.3290	0.000	1	110.3290	0.000	1	108.9833	0.469	7	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(NOO)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(NOO){1|C<4>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	107.6450	0.000	1	107.6450	0.000	1	107.6450	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6,6a]H)(CHO)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){3|H<1>,5|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6,6a]H)(CHO){1|N<2>,4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.8460	0.000	1	108.8460	0.000	1	108.7077	0.353	31	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.2880	0.000	1	108.2880	0.000	1	108.7077	0.353	31	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(CNO)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(CNO){4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	107.9410	0.103	2	107.9410	0.011	2	108.7077	0.353	31	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.6064	0.297	19	108.6064	0.088	19	108.7077	0.353	31	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CHO)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CHO){1|H<1>,1|N<2>,5|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.4180	0.000	1	108.4180	0.000	1	108.7077	0.353	31	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.7610	0.000	1	108.9535	0.079	4	108.7077	0.353	31	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.8945	0.310	2	108.9535	0.079	4	108.7077	0.353	31	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	109.2640	0.000	1	108.9535	0.079	4	108.7077	0.353	31	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>,2|N<2>}	H(C[6]N[5a,6]C[6a]C[6])	111.2740	0.000	1	111.2740	0.000	1	108.7077	0.353	31	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	109.2420	0.000	1	108.9475	0.173	2	108.7077	0.353	31	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.6530	0.000	1	108.9475	0.173	2	108.7077	0.353	31	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(NOO)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	106.7940	0.000	1	106.7940	0.000	1	106.7940	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[6,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6a]C[6])	107.1505	0.243	2	107.1505	0.059	2	107.1505	0.059	2	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[6,6a]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]N[6,6a]C[6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	H(C[6]N[6,6a]C[6a]C[6])	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CNO)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CNO)(H){1|H<1>,4|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(COO){3|C<3>}	H(C[6]C[6]N[6]C)	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Cr)(H)	C[6](C[6]N[6]2H)(N[6]C[6]Cr)(C[6]C[6]H)	H(C[6]C[6]N[6]2)	C[6](N[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Cr)(H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]N[6]2H)(N[6]C[6]Cr)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]2)	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<2>,1|N<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.4710	0.000	1	106.8958	0.191	11	106.8624	0.171	13	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9383	0.437	10	106.8958	0.191	11	106.8624	0.171	13	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CN[6]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CN[6]O){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8510	0.000	1	106.8510	0.000	1	106.8624	0.171	13	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.5060	0.000	1	106.5060	0.000	1	106.8624	0.171	13	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(NOO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(NOO){1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1	108.0904	2.210	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H)	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC)	H(C[6]C[6,6a]C[6,6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,5|C<4>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC){2|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6,6]C[6])	107.4590	0.000	1	107.4590	0.000	1	107.4590	0.000	1	106.7101	17.904	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]N)(SC[6a]OO)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]N)(SC[6a]OO){2|C<3>}	H(C[6]C[6,6a]C[6]N)	107.1100	0.000	1	107.1100	0.000	1	107.1100	0.000	1	106.7101	17.904	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[3]-4:	C[6]-4:	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(C[3]C[3]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(C[3]C[3]2H){4|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	106.7101	17.904	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H){1|C<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]C)	108.4735	1.336	2	108.4735	1.784	2	108.4735	1.784	2	106.7101	17.904	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH){1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9165	0.322	2	107.9165	0.104	2	104.3689	43.148	8	106.7101	17.904	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|P<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	93.7360	0.088	2	93.7360	0.008	2	104.3689	43.148	8	106.7101	17.904	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.8267	0.418	3	107.8267	0.175	3	104.3689	43.148	8	106.7101	17.904	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CH3)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CH3){6|C<3>}	H(C[6]C[6a]C[6]2)	108.1660	0.000	1	108.1660	0.000	1	104.3689	43.148	8	106.7101	17.904	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0720	0.000	1	107.0720	0.000	1	107.7157	0.328	3	106.7101	17.904	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CH3){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9070	0.000	1	107.9070	0.000	1	107.7157	0.328	3	106.7101	17.904	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CClHH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CClHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1680	0.000	1	108.1680	0.000	1	107.7157	0.328	3	106.7101	17.904	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:3:4:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH){4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.3397	0.175	6	108.3397	0.031	6	108.3397	0.031	6	106.7101	17.904	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:4:1:	4:	C[5a,6]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6,6]HH)(O)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]N)	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	103.1198	101.524	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:4:1:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	109.6540	0.477	2	109.6540	0.227	2	99.8845	127.335	4	103.1198	101.524	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:4:1:	4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)2(CNS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]O)2(CNS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	H(C[6]C[6]2C)	90.1149	0.008	2	90.1149	0.000	2	99.8845	127.335	4	103.1198	101.524	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	103.1198	101.524	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:4:2:	4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CC)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CC){2|C<3>}	H(C[6]C[6,6a]C[6]N)	107.2250	0.000	1	107.2250	0.000	1	107.2250	0.000	1	107.2250	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:4:3:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]CH)(CHH)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]CH)(CHH){1|C<4>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	107.4340	0.000	1	107.4340	0.000	1	107.4340	0.000	1	107.4789	1.266	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:4:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[5]C[5]N[5]H)(C[6]N[6]H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[5]C[5]N[5]H)(C[6]N[6]H){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	107.4789	1.266	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:4:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHN)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHN){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.4560	0.000	1	107.4560	0.000	1	106.8570	0.718	2	107.4789	1.266	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:4:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CN[5]H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CN[5]H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.2580	0.000	1	106.2580	0.000	1	106.8570	0.718	2	107.4789	1.266	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:4:3:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:P[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.9013	0.157	3	107.9013	0.025	3	107.9013	0.025	3	107.4789	1.266	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:4:3:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C[3]-3:	C[6]-4:	C[6](C[6]C[3]C[6])(N[6]C[6,6a]H)(COO)(H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]CH)(C[3]C[3]2)	H(C[6]C[6]N[6]C)	C[6](C[6]C[3]C[6])(N[6]C[6,6a]H)(COO)(H){2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]CH)(C[3]C[3]2){1|H<1>,4|C<4>,6|C<3>}	H(C[6]C[6]N[6]C)	104.6260	0.000	1	104.6260	0.000	1	104.6260	0.000	1	107.4789	1.266	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.5960	0.000	1	107.5960	0.000	1	107.6456	0.167	5	107.4789	1.266	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CHH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CHH){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.1670	0.000	1	107.1670	0.000	1	107.6456	0.167	5	107.4789	1.266	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.8217	0.413	3	107.8217	0.171	3	107.6456	0.167	5	107.4789	1.266	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	2:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(CH3)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){3|C<3>}	H(C[6]C[6]2C)	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	107.7140	1.119	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	2:4:1:	4:	N[6]-3:C[6]-3:P-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(PO3)(H)	C[6](O[6]C[6,6a])(C[6]N[6]HP)(O)	H(C[6]C[6]N[6]P)	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(PO3)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]HP)(O){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]P)	106.9660	0.000	1	106.9660	0.000	1	106.9660	0.000	1	107.7140	1.119	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:P-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(PC[6]2Pd)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6]C[6]HP)	H(C[6]C[6]2P)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(PC[6]2Pd)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6]C[6]HP){2|H<1>,6|C<3>}	H(C[6]C[6]2P)	119.7510	0.000	1	119.7510	0.000	1	119.7510	0.000	1	114.3160	59.078	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]C[6a])(N[6]C[6]S)(CCHH)(H)	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]N[6]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C[6a])(N[6]C[6]S)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]N[6]CH){1|C<4>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	108.8810	0.000	1	108.8810	0.000	1	108.8810	0.000	1	114.3160	59.078	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6,6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6,6]CH)(H){4|C<3>}	H(C[6]C[6,6]C[6]C)	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6a]CH)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6,6a]-3:C[6]-3:S-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(SC[6a]OO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HS)(O)	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(SC[6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HS)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]S)	108.0650	0.000	1	108.0650	0.000	1	108.0650	0.000	1	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.5620	0.000	1	106.8393	0.411	3	103.6726	40.386	4	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	106.4780	0.195	2	106.8393	0.411	3	103.6726	40.386	4	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CCHH)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	94.1725	0.000	1	94.1725	0.000	1	103.6726	40.386	4	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]S[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]S[6]HH)(H){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O){1|S<2>,3|H<1>,4|C<3>}	H(C[6]C[6]3)	103.2110	0.000	1	103.2110	0.000	1	103.2110	0.000	1	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(PC[6]2Pd)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HP)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(PC[6]2Pd)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HP)(H){3|C<3>}	H(C[6]C[6]2P)	119.7520	0.000	1	119.7520	0.000	1	119.7520	0.000	1	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.6990	0.000	1	107.6990	0.000	1	107.6178	0.309	8	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.4800	0.339	4	107.6670	0.400	6	107.6178	0.309	8	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|S<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.0410	1.110	2	107.6670	0.400	6	107.6178	0.309	8	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.2410	0.000	1	107.2410	0.000	1	107.6178	0.309	8	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.4810	0.000	1	106.4810	0.000	1	106.4810	0.000	1	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.8540	0.000	1	107.8540	0.000	1	106.8436	0.600	5	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.4690	0.688	3	106.5910	0.375	4	106.8436	0.600	5	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.9570	0.000	1	106.5910	0.375	4	106.8436	0.600	5	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(N[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]H)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	113.2800	0.000	1	113.2800	0.000	1	113.2800	0.000	1	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H){1|C<4>,4|C<3>}	H(C[6]C[6]N[6]C)	107.4415	0.035	2	107.3672	0.013	4	107.0944	0.142	7	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H){1|C<4>,4|C<3>}	H(C[6]C[6]N[6]C)	107.2930	0.124	2	107.3672	0.013	4	107.0944	0.142	7	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){1|C<3>,3|C<4>}	H(C[6]C[6]N[6]C)	106.4550	0.000	1	106.4550	0.000	1	107.0944	0.142	7	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	106.8240	0.000	1	106.8240	0.000	1	107.0944	0.142	7	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	106.9130	0.000	1	106.9130	0.000	1	107.0944	0.142	7	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[3,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	106.6300	0.000	1	106.6300	0.000	1	106.6300	0.000	1	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]C)	108.3430	0.000	1	108.3430	0.000	1	107.2809	0.507	22	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]CH)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	106.4670	0.000	1	106.4670	0.000	1	107.2809	0.507	22	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	106.9062	0.256	6	106.8264	0.132	9	107.2809	0.507	22	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	106.6670	0.555	3	106.8264	0.132	9	107.2809	0.507	22	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CH3)(H)	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CH3)(H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]C)	107.8945	0.052	2	107.8945	0.003	2	107.2809	0.507	22	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H)	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	107.4480	0.000	1	107.4480	0.000	1	107.2809	0.507	22	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CCHH)(H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.1320	0.000	1	107.1320	0.000	1	107.2809	0.507	22	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.8620	0.000	1	108.8620	0.000	1	107.2809	0.507	22	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.0417	0.243	3	107.0095	0.044	4	107.2809	0.507	22	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	106.9130	0.000	1	107.0095	0.044	4	107.2809	0.507	22	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CH3)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.2890	0.000	1	108.2890	0.000	1	107.2809	0.507	22	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CHHO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.3740	0.000	1	108.3740	0.000	1	107.2809	0.507	22	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	106.8858	0.570	6	106.9452	0.203	13	107.3122	0.294	31	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	106.9961	0.358	7	106.9452	0.203	13	107.3122	0.294	31	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H)	C[6](N[6,6]C[6,6]O[6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H){1|C<4>,1|O<1>,1|O<2>}	C[6](N[6,6]C[6,6]O[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,3|C<4>}	H(C[6]C[6]N[6]C)	107.5600	0.000	1	107.5600	0.000	1	107.3122	0.294	31	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	107.4430	0.000	1	107.7035	0.050	6	107.3122	0.294	31	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	107.8190	0.000	1	107.7035	0.050	6	107.3122	0.294	31	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]N[6]C)	107.7015	0.354	2	107.7035	0.050	6	107.3122	0.294	31	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]C)	107.7780	0.174	2	107.7035	0.050	6	107.3122	0.294	31	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.5098	0.547	11	107.5098	0.299	11	107.3122	0.294	31	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C[6](N[6]C[3,6]C)(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	C[6](N[6]C[3,6]C)(C[6]N[6]CH)(O){1|C<3>,3|C<4>}	H(C[6]C[6]N[6]C)	108.7710	0.000	1	108.7710	0.000	1	107.6046	0.817	8	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O){1|C<4>,4|C<3>}	H(C[6]C[6]N[6]C)	108.2080	0.000	1	108.2080	0.000	1	107.6046	0.817	8	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	106.8180	0.000	1	106.8180	0.000	1	107.6046	0.817	8	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H)	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	108.2190	0.000	1	108.2190	0.000	1	107.6046	0.817	8	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	106.9153	0.822	3	106.9153	0.676	3	107.6046	0.817	8	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C[6](N[6]C[4,6]H)(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](N[6]C[4,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	108.0750	0.000	1	108.0750	0.000	1	107.6046	0.817	8	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	C[6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.2980	0.229	2	106.2980	0.052	2	106.2980	0.052	2	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]CH)(O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H){1|O<1>,2|O<2>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]C)	108.7840	3.770	2	108.7840	14.215	2	108.7840	14.215	2	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]N[5,6]CH)(O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H){1|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[5,6]CH)(O){1|C<4>,4|C<3>}	H(C[6]N[5,6]C[6]C)	108.1150	0.000	1	108.1150	0.000	1	108.1150	0.000	1	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]C)	107.6015	0.064	2	107.6015	0.004	2	107.9626	0.314	10	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H){3|C<3>}	H(C[6]C[6]N[6]C)	107.9687	0.216	3	107.9687	0.046	3	107.9626	0.314	10	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[5]HH)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H){1|Re<6>,2|C<3>}	H(C[6]C[6]N[6]C)	108.9365	0.090	2	108.9365	0.008	2	107.9626	0.314	10	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CC[6]HH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(H){1|Re<6>,2|C<3>}	H(C[6]C[6]N[6]C)	107.6830	0.000	1	107.6830	0.000	1	107.9626	0.314	10	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]N[5,6]C)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]N[5,6]C)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]C)	107.3710	0.000	1	107.3710	0.000	1	107.9626	0.314	10	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]N[5,6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]N[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.5900	0.000	1	107.5900	0.000	1	107.9626	0.314	10	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	N[3,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H)	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](N[3,6]C[3,6]C[3])(C[6]N[6]CH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.3340	0.000	1	107.3340	0.000	1	107.3340	0.000	1	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.5100	0.000	1	108.5100	0.000	1	108.4603	0.108	6	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.3040	0.000	1	108.3040	0.000	1	108.4603	0.108	6	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H)	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O){3|C<3>}	H(C[6]C[6]N[6]C)	108.4870	0.413	4	108.4870	0.171	4	108.4603	0.108	6	107.4418	3.961	115	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:2:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CN){1|H<1>,2|C<2>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]2)	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[5a]-3:C[6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[5a]C[6]H)(CCO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|H<1>,1|S<1>,2|C<3>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[5a]C[6]H)(CCO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]2)	107.4570	0.000	1	107.4570	0.000	1	107.4570	0.000	1	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]2)	107.1920	0.000	1	107.1920	0.000	1	107.0787	0.243	3	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]I)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|I<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]I){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]2)	106.5390	0.000	1	106.5390	0.000	1	107.0787	0.243	3	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]2)	107.5050	0.000	1	107.5050	0.000	1	107.0787	0.243	3	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	93.6374	0.000	1	93.6374	0.000	1	93.6374	0.000	1	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(CH3)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	108.4870	0.000	1	108.4870	0.000	1	108.4870	0.000	1	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(N[6]C[6]Al)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H){1|Al<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(N[6]C[6]Al){1|H<1>,5|C<3>}	H(C[6]C[6]2C)	107.4150	0.000	1	107.4150	0.000	1	107.4150	0.000	1	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(CSiHH)(H){1|Al<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	111.8300	0.000	1	111.8300	0.000	1	108.0980	6.430	4	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.5470	0.000	1	107.5470	0.000	1	108.0980	6.430	4	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])2(CC3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])2(CC3)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){2|C<4>,5|C<3>}	H(C[6]C[6]2C)	106.5075	0.018	2	106.5075	0.000	2	108.0980	6.430	4	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]S[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]C)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]S[6]HH)(H){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]C){1|O<1>,2|S<2>,3|C<3>,5|H<1>}	H(C[6]C[6]3)	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.2960	0.000	1	107.9363	0.336	3	107.9363	0.336	3	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]2)	108.2565	0.238	2	107.9363	0.336	3	107.9363	0.336	3	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(CCCH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCH){2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.1170	0.876	3	108.1170	0.768	3	108.1170	0.768	3	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.1030	0.662	4	107.1030	0.438	4	107.1670	0.304	6	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.0160	0.000	1	107.0160	0.000	1	107.1670	0.304	6	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.5740	0.000	1	107.5740	0.000	1	107.1670	0.304	6	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]CH)(CNO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]CH)(CNO){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.6805	1.619	2	108.6805	2.620	2	108.6847	1.310	3	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(CHO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(CHO){1|S<4>,2|C<3>}	H(C[6]C[6]N[6]C)	108.6930	0.000	1	108.6930	0.000	1	108.6847	1.310	3	107.2642	8.729	27	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3){1|In<5>,1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2C)	109.7530	2.983	2	109.7530	8.896	2	110.6146	7.862	5	108.3090	4.166	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3){1|In<5>,1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2C)	112.9950	0.711	2	112.9950	0.506	2	110.6146	7.862	5	108.3090	4.166	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.5770	0.000	1	107.5770	0.000	1	110.6146	7.862	5	108.3090	4.166	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2C)	108.3915	0.545	2	108.3915	0.297	2	107.0545	2.498	4	108.3090	4.166	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2C)	105.7175	0.214	2	105.7175	0.046	2	107.0545	2.498	4	108.3090	4.166	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCCH)(H)	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCCH)(H){2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	106.0700	0.000	1	106.0700	0.000	1	107.5132	0.855	8	108.3090	4.166	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	108.4303	0.403	3	108.2548	0.231	4	107.5132	0.855	8	108.3090	4.166	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.7280	0.000	1	108.2548	0.231	4	107.5132	0.855	8	108.3090	4.166	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4])(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	107.0057	0.345	3	107.0057	0.119	3	107.5132	0.855	8	108.3090	4.166	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	H(C[6]C[6]N[6]C)	108.0980	0.207	3	108.0980	0.043	3	108.2728	0.151	4	108.3090	4.166	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CHHI)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CHHI)(H){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	H(C[6]C[6]N[6]C)	108.7970	0.000	1	108.7970	0.000	1	108.2728	0.151	4	108.3090	4.166	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-2:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6])(O)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6])(O){1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.0190	0.000	1	107.0190	0.000	1	107.0190	0.000	1	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(O)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(O){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	106.3340	0.000	1	106.1960	0.038	2	106.1960	0.038	2	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(O)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(O){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	106.0580	0.000	1	106.1960	0.038	2	106.1960	0.038	2	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6])(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6])(H){1|H<1>,2|C<3>}	H(C[6]C[6]2C)	130.3340	0.000	1	130.3340	0.000	1	130.3340	0.000	1	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.3510	0.000	1	107.3510	0.000	1	105.6222	0.768	44	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	106.1805	0.011	2	106.1805	0.000	2	105.6222	0.768	44	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]O)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	105.6950	0.000	1	105.6950	0.000	1	105.6222	0.768	44	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)2(CCCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]O[6]O)2(CCCH)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	105.8610	0.042	2	105.8610	0.002	2	105.6222	0.768	44	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)2(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]O[6]O)2(CC[5a]HH)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	106.0705	0.036	2	106.0705	0.001	2	105.6222	0.768	44	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]O[6]O)2(CC[6a]CC)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	104.9898	0.792	16	104.9898	0.627	16	105.6222	0.768	44	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)2(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(O)	H(C[6]C[6]2C)	C[6](C[6]O[6]O)2(CC[6a]CH)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	105.6541	0.336	8	105.6541	0.113	8	105.6222	0.768	44	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)2(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]O[6]O)2(CC[6a]CH)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	106.6893	0.418	4	106.6893	0.175	4	105.6222	0.768	44	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]O[6]O)2(CC[6a]HH)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	105.7848	1.000	8	105.7848	0.999	8	105.6222	0.768	44	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.5370	0.000	1	107.5370	0.000	1	107.9263	1.324	14	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.8150	0.000	1	106.7420	0.011	2	107.9263	1.324	14	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.6690	0.000	1	106.7420	0.011	2	107.9263	1.324	14	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.1330	0.000	1	108.1330	0.000	1	107.9263	1.324	14	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(O[6]C[6,6])(O)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6,6])(O){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	106.1960	0.000	1	106.1960	0.000	1	107.9263	1.324	14	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,2|C<4>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.3690	0.000	1	108.1877	0.028	3	107.9263	1.324	14	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.0400	0.000	1	108.1877	0.028	3	107.9263	1.324	14	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.1540	0.000	1	108.1877	0.028	3	107.9263	1.324	14	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	109.7510	0.000	1	108.8870	0.578	3	107.9263	1.324	14	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,2|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.4550	0.190	2	108.8870	0.578	3	107.9263	1.324	14	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]N[6])(O)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(O[6]N[6])(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	108.0315	2.614	2	108.0315	6.834	2	107.9263	1.324	14	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.3310	0.000	1	108.3310	0.000	1	107.9263	1.324	14	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]O[6]O)(CC[6a]HH)(H){3|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|N<2>,2|C<3>}	H(C[6]C[6]N[6]C)	108.0000	0.000	1	108.0000	0.000	1	108.0000	0.000	1	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:1:	4:	S[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](S[6]C[6]Cu)(C[6]O[6]H)(CHHS)(H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)	H(C[6]C[6]S[6]C)	C[6](S[6]C[6]Cu)(C[6]O[6]H)(CHHS)(H){1|H<1>,2|C<4>}	C[6](C[6]S[6]CH)(O[6]C[6])(H){1|Cu<5>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]C)	113.6850	0.000	1	113.6850	0.000	1	113.6850	0.000	1	106.7152	11.620	64	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:2:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	107.3430	0.000	1	106.7415	0.724	2	106.7415	0.724	2	106.8730	0.414	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:2:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,3|C<4>}	H(C[6]C[6]N[6]C)	106.1400	0.000	1	106.7415	0.724	2	106.7415	0.724	2	106.8730	0.414	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:2:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:N-2:	C[6]-4:	C[6](C[6]O[6]N)(N[6]C[6]O)(CCCH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(NO)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]N)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(NO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]C)	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	106.8730	0.414	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:3:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(CCH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(CCH){1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]N[6]C)	108.9290	0.000	1	108.8590	0.011	3	108.8590	0.011	3	108.8590	0.011	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:2:3:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(CCH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(CCH){1|N<2>,2|C<3>}	H(C[6]C[6]N[6]C)	108.8240	0.120	2	108.8590	0.011	3	108.8590	0.011	3	108.8590	0.011	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CHHN)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6a]O[6])(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CHHN)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]C[5a,6]CH)(C[6]C[6a]O[6])(H){4|C<3>}	H(C[6]C[5a,6]C[6]C)	106.9350	0.000	1	106.9350	0.000	1	107.2965	0.261	2	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	107.6580	0.000	1	107.6580	0.000	1	107.2965	0.261	2	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(H){4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.2560	0.000	1	108.2560	0.000	1	107.4333	0.785	8	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.7817	0.277	3	107.7817	0.077	3	107.4333	0.785	8	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.2860	0.742	2	107.2860	0.551	2	107.4333	0.785	8	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	105.5360	0.000	1	105.5360	0.000	1	107.4333	0.785	8	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.7570	0.000	1	107.7570	0.000	1	107.4333	0.785	8	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[5,6]H)(O)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(N[6]C[5,6]H)(O){2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]C)	107.0557	0.526	3	107.0557	0.276	3	107.0473	0.691	6	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(O)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(O){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	106.3840	0.571	2	106.3840	0.326	2	107.0473	0.691	6	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(N[6]N[6]C)(O)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H){1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]N[6]C)(O){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.3490	0.000	1	108.3490	0.000	1	107.0473	0.691	6	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[6]-3:F-1:	C[6]-4:	C[6](C[6]C[6]F)2(BC[6a]3)(H)	C[6](C[6]C[6]BH)(C[6]C[6]F)(F)	H(C[6]C[6]2B)	C[6](C[6]C[6]F)2(BC[6a]3)(H){1|C<3>,2|F<1>}	C[6](C[6]C[6]BH)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	H(C[6]C[6]2B)	93.8861	0.082	2	93.8861	0.007	2	93.8861	0.007	2	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H)	C[6](C[6]C[6]BH)(C[6]C[6]C)(H)	H(C[6]C[6]2B)	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|H<1>}	H(C[6]C[6]2B)	109.9285	0.224	2	109.9285	0.050	2	108.5840	2.428	4	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(BC[6a]3)(H)	C[6](C[6]C[6]BH)(C[6]C[6]H)(H)	H(C[6]C[6]2B)	C[6](C[6]C[6]H)2(BC[6a]3)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]BH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2B)	107.2790	0.000	1	107.2790	0.000	1	108.5840	2.428	4	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(BC[6a]3)(H)	C[6](C[6]C[6]BH)(C[6]C[6]P)(H)	H(C[6]C[6]2B)	C[6](C[6]C[6]H)2(BC[6a]3)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]BH)(C[6]C[6]P)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2B)	107.2000	0.000	1	107.2000	0.000	1	108.5840	2.428	4	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	H(C[6]C[6]2C)	93.7859	0.000	1	93.7859	0.000	1	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	93.7691	0.000	1	93.7691	0.000	1	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>}	H(C[6]C[6]2C)	108.1800	0.000	1	108.1800	0.000	1	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2C)	111.8860	0.000	1	111.8860	0.000	1	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.3380	0.000	1	108.3380	0.000	1	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2C)	100.5380	0.000	1	100.5380	0.000	1	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	H(C[6]C[6]2C)	111.3870	0.000	1	111.3870	0.000	1	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]Cl)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]Cl)(H){1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	105.9920	0.000	1	105.9920	0.000	1	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	106.9970	0.000	2	106.9970	0.000	2	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	106.6260	0.000	2	106.6260	0.000	2	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|O<2>}	H(C[6]C[6]2C)	107.3620	0.000	1	107.3620	0.000	1	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]B[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CCCH)(H){1|Si<4>,1|B<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]B[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2C)	108.7540	0.000	1	108.7540	0.000	1	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]B[6]Si)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CCCH)(H){1|Si<4>,1|B<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]B[6]Si)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2C)	104.1120	0.000	1	104.1120	0.000	1	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.0952	0.103	4	107.0952	0.011	4	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	94.1030	0.000	1	101.4980	109.372	2	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	108.8930	0.000	1	101.4980	109.372	2	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CC[6a]3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CC[6a]3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.0170	0.025	2	107.0170	0.001	2	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CC[6a]3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CC[6a]3)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2C)	106.7905	0.016	2	106.7905	0.000	2	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CC[6a]HH)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2C)	107.6040	0.045	2	107.6040	0.002	2	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]Si[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CC[6a]HH)(H){1|Si<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]Si[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	106.3680	0.030	2	106.3680	0.001	2	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.4130	0.000	1	107.4130	0.000	1	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CH3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2C)	119.8660	0.038	2	126.0315	120.631	4	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	132.1970	14.486	2	126.0315	120.631	4	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CH3)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2C)	90.9693	0.998	8	90.9693	0.996	8	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)(H){1|Cr<9>,1|Mn<6>,1|C<5>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2C)	107.1650	0.000	1	107.1650	0.000	1	104.9941	102.926	43	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9990	0.000	2	106.9990	0.000	2	106.1468	4.198	13	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7220	0.000	2	106.7220	0.000	2	106.1468	4.198	13	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)2(CC[6]CH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]N[6]O)2(CC[6]CH)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	H(C[6]C[6]2C)	104.4580	0.644	4	104.4580	0.415	4	106.1468	4.198	13	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)2(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]N[6]O)2(CC[6a]CH)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	H(C[6]C[6]2C)	107.5067	3.876	3	107.5067	15.022	3	106.1468	4.198	13	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]N[6]O)2(CC[6a]HH)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	H(C[6]C[6]2C)	106.0575	0.032	2	106.0575	0.001	2	106.1468	4.198	13	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:N-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(NCHH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]H)2(NCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2N)	109.0050	0.021	2	109.0050	0.000	2	109.0050	0.000	2	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(PCCH)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]H)2(PCCH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2P)	105.5415	0.006	2	105.5415	0.000	2	119.1360	12.746	32	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(PC[6]2N)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]H)2(PC[6]2N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2P)	119.9814	0.157	11	119.9814	0.025	11	119.1360	12.746	32	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(PC[6]2Ni)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]H)2(PC[6]2Ni)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2P)	120.2484	0.166	5	120.2484	0.027	5	119.1360	12.746	32	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(PC[6]2Pd)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]H)2(PC[6]2Pd)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2P)	120.0595	0.173	6	120.0595	0.030	6	119.1360	12.746	32	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(PC[6]PtC)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]H)2(PC[6]PtC)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2P)	119.9844	0.109	8	119.9844	0.012	8	119.1360	12.746	32	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:Si-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(SiC3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)	H(C[6]C[6]2Si)	C[6](C[6]C[6]C)(C[6]C[6]H)(SiC3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2Si)	104.9930	0.738	5	104.9930	0.545	5	106.1424	2.222	9	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:C[6]-3:Si-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(SiC[5]CC)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H)	H(C[6]C[6]2Si)	C[6](C[6]C[6]H)2(SiC[5]CC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2Si)	107.5793	0.495	4	107.5793	0.245	4	106.1424	2.222	9	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]C)	107.6170	0.062	2	107.6170	0.004	2	107.8362	0.511	20	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6240	0.000	1	107.6240	0.000	1	107.8362	0.511	20	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.6700	0.000	1	107.6700	0.000	1	107.8362	0.511	20	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	107.4005	0.250	4	107.2888	0.109	5	107.8362	0.511	20	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.8420	0.000	1	107.2888	0.109	5	107.8362	0.511	20	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]N)(CC3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]N)(CC3)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.3080	0.000	1	108.3080	0.000	1	107.8362	0.511	20	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6160	0.420	2	107.6160	0.176	2	107.8362	0.511	20	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|S<3>,1|S<4>}	H(C[6]C[6]N[6]C)	109.3700	0.209	2	109.3700	0.044	2	107.8362	0.511	20	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]N[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]N[6]H)(CCHH)(H){1|C<3>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.1080	0.000	1	108.1080	0.000	1	107.8362	0.511	20	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]O[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]Br)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]O[6]C)(CCHH)(H){1|Br<1>,1|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]Br)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]N[6]C)	108.4090	0.000	1	108.4090	0.000	1	107.8362	0.511	20	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]O[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]O[6]C)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]C)	108.3950	0.000	1	108.3950	0.000	1	107.8362	0.511	20	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<3>,1|S<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.2020	0.000	1	107.2020	0.000	1	107.8362	0.511	20	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|S<3>,1|S<4>}	H(C[6]C[6]N[6]C)	108.4490	0.000	1	107.6790	1.186	2	107.8362	0.511	20	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|S<3>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.9090	0.000	1	107.6790	1.186	2	107.8362	0.511	20	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]N[6]C)	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.4510	0.000	1	106.4210	3.330	3	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]C)	105.8950	0.000	1	106.4210	3.330	3	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]C)	104.9170	0.000	1	106.4210	3.330	3	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.7730	0.000	1	107.9573	0.828	4	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]C)	108.1795	0.363	2	107.9573	0.828	4	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	106.6970	0.000	1	107.9573	0.828	4	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	105.8950	0.000	1	105.8950	0.000	1	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]C)	107.3210	0.000	1	107.3210	0.000	1	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]C)	107.3020	0.000	1	107.3020	0.000	1	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	106.3367	0.394	3	106.3367	0.155	3	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]C)	107.0827	0.568	3	107.0827	0.323	3	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]C)	106.6740	0.000	1	106.9335	0.646	14	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	106.6014	0.669	9	106.9335	0.646	14	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]C)	107.5850	0.000	1	106.9335	0.646	14	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.7990	0.738	3	106.9335	0.646	14	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	109.4720	0.000	1	107.5365	1.773	4	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	106.8913	0.402	3	107.5365	1.773	4	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]N[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]N[6]H)(O){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	106.8350	0.000	1	106.8350	0.000	1	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	107.1967	0.185	3	107.1967	0.034	3	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]N[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]N[6]C)(O){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	107.5890	0.000	1	107.9715	0.293	2	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]N[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]N[6]C)(O){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	108.3540	0.000	1	107.9715	0.293	2	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	106.8040	0.000	1	106.8040	0.000	1	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.2645	0.023	2	107.2645	0.001	2	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.9190	0.000	1	107.3305	0.339	2	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.7420	0.000	1	107.3305	0.339	2	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.6310	0.335	2	107.0376	4.431	9	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.8680	2.395	7	107.0376	4.431	9	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.3315	0.070	2	107.3315	0.005	2	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.0130	0.844	3	107.1833	0.591	4	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.6940	0.000	1	107.1833	0.591	4	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.5440	0.000	1	107.5440	0.000	1	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.3255	0.548	2	107.3255	0.300	2	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.9660	1.106	2	107.9660	1.223	2	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.6080	0.000	1	106.6080	0.000	1	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.8353	0.316	3	107.6397	0.220	4	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.0530	0.000	1	107.6397	0.220	4	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]N)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]N)(O){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	106.8510	0.000	1	106.8510	0.000	1	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.8530	0.000	1	109.5295	5.621	2	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	111.2060	0.000	1	109.5295	5.621	2	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]O)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]C)	107.3520	0.185	2	107.3520	0.034	2	107.2278	1.275	75	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:S[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(S[6]N[6]O)(CH3)(H)	C[6](C[6]S[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]S[6]C)	C[6](C[6]C[6]H)(S[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]S[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]S[6]C)	106.9700	0.000	1	106.9700	0.000	1	106.9700	0.000	1	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6,6a]H)(H)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]N[5,6]CH)(C[6]C[6,6a]H)(H){1|Si<4>,2|C<3>}	H(C[6]N[5,6]C[6]C)	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]N[5,6]CH)(N[6]C[6]H)(O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6]CH)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]C)	106.9290	0.000	1	106.9290	0.000	1	107.1790	0.125	2	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H)	C[6](C[6]N[5,6]CH)(N[6]C[6]C)(O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]N[5,6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	H(C[6]N[5,6]C[6]C)	107.4290	0.000	1	107.4290	0.000	1	107.1790	0.125	2	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCCH)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[5a,6]C[6]C)	108.2000	0.000	1	108.2000	0.000	1	108.4250	1.314	4	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]Cl)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]Cl)(H){1|C<3>,1|H<1>,2|N<3>}	H(C[6]N[5a,6]C[6]C)	108.8240	0.000	1	108.8240	0.000	1	108.4250	1.314	4	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]N[5a,6]C[6]C)	108.3380	1.928	2	108.3380	3.716	2	108.4250	1.314	4	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]N)(O)	H(C[6]N[5a,6]C[6]C)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,1|N<3>,2|N<2>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]N)(O){1|C<3>,1|N<2>,2|C<4>}	H(C[6]N[5a,6]C[6]C)	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6,6a]H)(H)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6,6a]H)(H){1|C<4>,2|C<3>}	H(C[6]N[6,6]C[6]C)	107.6160	0.000	1	107.6160	0.000	1	107.6160	0.000	1	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]N[6,6]CH)(N[6]C[6]H)(O)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C[6](C[6]N[6,6]CH)(N[6]C[6]H)(O){1|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]C)	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	H(C[6]N[6,6a]C[6]C)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	H(C[6]N[6,6a]C[6]C)	108.2065	0.972	2	107.8395	0.497	4	107.6518	0.300	8	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	H(C[6]N[6,6a]C[6]C)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[6,6a]C[6]C)	107.4120	0.000	1	107.8395	0.497	4	107.6518	0.300	8	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	H(C[6]N[6,6a]C[6]C)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){3|C<3>}	H(C[6]N[6,6a]C[6]C)	107.5330	0.000	1	107.8395	0.497	4	107.6518	0.300	8	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(O)	H(C[6]N[6,6a]C[6]C)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	H(C[6]N[6,6a]C[6]C)	107.5440	0.000	1	107.5440	0.000	1	107.6518	0.300	8	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	H(C[6]N[6,6a]C[6]C)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	H(C[6]N[6,6a]C[6]C)	107.4265	0.562	2	107.4373	0.158	3	107.6518	0.300	8	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	H(C[6]N[6,6a]C[6]C)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>}	H(C[6]N[6,6a]C[6]C)	107.4590	0.000	1	107.4373	0.158	3	107.6518	0.300	8	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CC3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CC3)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]C)	109.6660	0.000	1	109.6660	0.000	1	108.1840	5.767	4	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)(H){1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	106.3430	0.000	1	106.3430	0.000	1	108.1840	5.767	4	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]N[6]CH)(C[6]N[6]C)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]N[6]C)(H){1|Ge<2>,2|C<3>}	H(C[6]C[6]N[6]C)	105.9500	0.000	1	105.9500	0.000	1	108.1840	5.767	4	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]C)	110.7770	0.000	1	110.7770	0.000	1	108.1840	5.767	4	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6]C[6]Mo)(C[6]N[6]O)(CHHS)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]Mo)(C[6]N[6]O)(CHHS)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|Mo<12>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	106.9170	0.000	1	106.9170	0.000	1	107.3363	0.263	3	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.1840	0.000	1	107.1840	0.000	1	107.3363	0.263	3	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]N[6]H)(O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]N[6]H)(O){2|C<3>}	H(C[6]C[6]N[6]C)	107.9080	0.000	1	107.9080	0.000	1	107.3363	0.263	3	108.3512	40.478	243	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:2:	4:	C[5,6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H)	C[6](C[6]C[5,6]BH)(C[6]C[6]H)(CN)	H(C[6]C[5,6]C[6]B)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(BC[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]BH)(C[6]C[6]H)(CN){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]B)	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	108.2620	2.169	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:2:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.3665	1.197	2	108.3665	1.433	2	107.6885	1.160	4	108.2620	2.169	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:2:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.0105	0.456	2	107.0105	0.208	2	107.6885	1.160	4	108.2620	2.169	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:2:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6])	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.4360	0.000	2	108.4360	0.000	2	108.4360	0.000	2	108.2620	2.169	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:2:	4:	C[6]-3:C[6]-3:B-4:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H)	C[6](C[6]C[6]BH)(C[6]C[6]H)(CN)	H(C[6]C[6]2B)	C[6](C[6]C[6]C)(C[6]C[6]H)(BC[5]HH)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]H)(CN){1|C<3>,3|H<1>}	H(C[6]C[6]2B)	109.4380	0.597	2	109.4380	0.356	2	109.4380	0.356	2	108.2620	2.169	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:2:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6]C)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCCH)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN){2|C<3>}	H(C[6]C[6]2C)	107.4950	0.000	1	107.4950	0.000	1	107.5445	0.005	2	108.2620	2.169	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:2:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN){2|C<3>}	H(C[6]C[6]2C)	107.5940	0.000	1	107.5940	0.000	1	107.5445	0.005	2	108.2620	2.169	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:2:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.5610	0.000	1	107.5610	0.000	1	107.5610	0.000	1	108.2620	2.169	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:2:	4:	C[6]-3:C[6]-3:Si-4:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])2(SiC3)(H)	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(N[6]Si[6])	H(C[6]C[6]2Si)	C[6](C[6]C[6a]N[6])2(SiC3)(H){1|Si<4>,4|C<3>}	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(N[6]Si[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2Si)	108.8940	0.181	2	108.8940	0.033	2	108.8940	0.033	2	108.2620	2.169	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:2:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]N[6]N)(CN)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]N[6]CH)(C[6]N[6]N)(CN){1|C<3>,1|H<1>}	H(C[6]C[6]N[6]C)	110.5330	0.000	1	110.5330	0.000	1	110.5330	0.000	1	108.2620	2.169	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:2:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(OC){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	105.9220	0.006	2	105.9220	0.000	2	105.9220	0.000	2	108.2620	2.169	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO){2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.3540	0.159	4	107.3540	0.025	4	107.7928	0.815	12	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(CC[6a]O)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(CC[6a]O){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.6300	0.000	1	108.6300	0.000	1	107.7928	0.815	12	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO){2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.9060	0.000	1	107.9060	0.000	1	107.7928	0.815	12	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CC[6a]O){2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.1900	0.000	1	107.1900	0.000	1	107.7928	0.815	12	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(COO)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(COO){2|C<3>}	H(C[6]C[6,6a]C[6]C)	108.8630	0.000	1	108.8630	0.000	1	107.7928	0.815	12	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CCO)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CCO){2|C<3>}	H(C[6]C[6,6a]C[6]C)	109.5940	0.000	1	109.5940	0.000	1	107.7928	0.815	12	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]H)(COO)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.8730	0.069	2	107.8730	0.005	2	107.7928	0.815	12	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	H(C[6]C[6,6a]C[6]C)	106.1690	0.000	1	106.1690	0.000	1	107.7928	0.815	12	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO){2|C<3>}	H(C[6]C[6,6a]C[6]C)	106.8165	0.363	2	106.8165	0.132	2	106.8165	0.132	2	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHN)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HO)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.0920	0.000	1	108.0920	0.000	1	108.0499	0.220	14	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCCH)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){1|C<2>,1|C<3>}	H(C[6]C[6]2C)	107.5010	0.000	1	107.5010	0.000	1	108.0499	0.220	14	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7795	0.254	2	107.7795	0.064	2	108.0499	0.220	14	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCHH)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO){1|C<4>,2|C<3>}	H(C[6]C[6]2C)	109.1100	0.000	1	109.1100	0.000	1	108.0499	0.220	14	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CN[5]O)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(CN[5]O){1|C<3>,2|C<4>}	H(C[6]C[6]2C)	107.3220	0.000	1	107.3220	0.000	1	108.0499	0.220	14	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){1|C<2>,1|C<3>}	H(C[6]C[6]2C)	107.6310	0.000	1	107.6310	0.000	1	108.0499	0.220	14	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCHH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO){1|C<3>,1|C<4>}	H(C[6]C[6]2C)	108.4480	0.000	1	108.4480	0.000	1	108.0499	0.220	14	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CH3)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.2938	0.173	4	108.2938	0.030	4	108.0499	0.220	14	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(CHOO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CHOO)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO){1|C<4>,2|C<3>}	H(C[6]C[6]2C)	107.9305	0.023	2	107.9305	0.001	2	108.0499	0.220	14	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)	H(C[6]C[6]2C)	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	26.2052	0.000	1	26.2052	0.000	1	26.2052	0.000	1	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){2|H<1>,3|C<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.1880	0.000	1	107.1880	0.000	1	107.5480	0.216	5	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.0210	0.000	1	108.0210	0.000	1	107.5480	0.216	5	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.5080	0.000	1	107.5080	0.000	1	107.5480	0.216	5	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]H){4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.0150	0.000	1	108.0150	0.000	1	107.5480	0.216	5	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.0080	0.000	1	107.0080	0.000	1	107.5480	0.216	5	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[5]HH)(H)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	109.0840	0.000	1	109.0840	0.000	1	109.0944	2.741	7	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]N[6]C)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]C)(CCO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.8250	0.000	1	108.8250	0.000	1	109.0944	2.741	7	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	111.2325	0.924	2	110.3513	2.756	3	109.0944	2.741	7	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.5890	0.000	1	110.3513	2.756	3	109.0944	2.741	7	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.4620	0.000	1	107.4620	0.000	1	109.0944	2.741	7	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.2360	0.000	1	107.2360	0.000	1	109.0944	2.741	7	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Co)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Co)(C[6]C[6]H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6]Co)(C[6]C[6]HN)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]N[6]H)(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	107.0590	0.000	1	107.0590	0.000	1	107.4193	2.080	6	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cr)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Cr)(C[6]C[6]H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cr)(C[6]C[6]HN)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]N[6]H)(N[6]C[6]Cr)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	108.9035	0.052	2	108.9035	0.003	2	107.4193	2.080	6	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ni)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ni)(C[6]C[6]HN)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	107.7370	0.000	1	107.7370	0.000	1	107.4193	2.080	6	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ru)(C[6]C[6]H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	106.8170	0.000	1	106.8170	0.000	1	107.4193	2.080	6	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]P)(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ir)(C[6]C[6]H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a]P)(C[6]C[6]HH)(H){1|Ir<6>,3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ir)(C[6]C[6]H){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	105.0960	0.000	1	105.0960	0.000	1	107.4193	2.080	6	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H)	C[6](C[6]N[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]N[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]C)	106.0135	0.267	2	106.0135	0.071	2	106.0135	0.071	2	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	N[5a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	H(C[6]N[5a]C[6]2)	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CHN)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]C)	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	106.2368	131.932	51	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H)	C[6](C[6]C[6]CH)(C[6]C[6]S)(CHHO)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCFF)(H){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]CH)(C[6]C[6]S)(CHHO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	108.1330	0.000	1	108.1330	0.000	1	107.2323	0.628	6	103.4264	37.549	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.8295	0.204	2	107.8295	0.042	2	107.2323	0.628	6	103.4264	37.549	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CH3)(H){1|B<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3){1|C<4>,2|C<3>}	H(C[6]C[6]2C)	106.6685	0.015	2	106.6685	0.000	2	107.2323	0.628	6	103.4264	37.549	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.2650	0.000	1	106.2650	0.000	1	107.2323	0.628	6	103.4264	37.549	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)2(PCHO)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(CC3)	H(C[6]C[6]2P)	C[6](C[6]C[6]C)2(PCHO)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	H(C[6]C[6]2P)	94.7015	0.041	2	94.7015	0.002	2	92.6615	5.550	4	103.4264	37.549	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)2(PC[6]2Pd)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(CH3)	H(C[6]C[6]2P)	C[6](C[6]C[6]C)2(PC[6]2Pd)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	H(C[6]C[6]2P)	90.6214	0.034	2	90.6214	0.001	2	92.6615	5.550	4	103.4264	37.549	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:C[6]-3:Si-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(SiC3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]2Si)	C[6](C[6]C[6]C)(C[6]C[6]H)(SiC3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH){1|Si<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2Si)	105.0494	0.745	5	105.0494	0.554	5	105.0494	0.554	5	103.4264	37.549	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CClHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCCH)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(CClHH){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.0930	0.000	1	106.0930	0.000	1	107.4630	1.915	3	103.4264	37.549	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H){1|C<4>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]C)	108.8600	0.000	1	108.8600	0.000	1	107.4630	1.915	3	103.4264	37.549	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]C)	107.4360	0.000	1	107.4360	0.000	1	107.4630	1.915	3	103.4264	37.549	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:1:	4:	C[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]C)	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	105.8724	4.247	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	106.4360	0.000	1	106.4360	0.000	1	104.5045	4.558	4	105.8724	4.247	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:1:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(O)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(O){3|C<3>}	H(C[6]C[6,6a]C[6]C)	103.8607	2.086	3	103.8607	4.350	3	104.5045	4.558	4	105.8724	4.247	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HW)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HW)(O){1|C<3>,2|H<1>}	H(C[6]C[6]2C)	103.4250	0.000	1	103.4250	0.000	1	105.4954	1.377	5	105.8724	4.247	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]CC)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2C)	106.0260	0.000	1	106.0260	0.000	1	105.4954	1.377	5	105.8724	4.247	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	106.1675	0.013	2	106.1675	0.000	2	105.4954	1.377	5	105.8724	4.247	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]O)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	105.6910	0.000	1	105.6910	0.000	1	105.4954	1.377	5	105.8724	4.247	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)(H)	C[6](C[6]C[6]MoH)(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)(H){1|Mo<8>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(C[6]N[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	105.8724	4.247	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:1:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[5,6]C[6]C)	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	105.8724	4.247	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:2:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	114.7530	78.325	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:2:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	121.0110	0.000	1	121.0110	0.000	1	121.0110	0.000	1	114.7530	78.325	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2C)	106.5760	0.000	1	106.5760	0.000	1	106.4305	0.042	2	105.8839	24.238	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2C)	106.2850	0.000	1	106.2850	0.000	1	106.4305	0.042	2	105.8839	24.238	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6]2C)	93.8508	0.000	1	93.8508	0.000	1	93.8508	0.000	1	105.8839	24.238	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3110	0.000	1	108.3110	0.000	1	108.5867	1.643	4	105.8839	24.238	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]CH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]CH)(CHH){1|C<4>,4|C<3>}	H(C[6]C[6]2C)	107.2590	0.000	1	107.2590	0.000	1	108.5867	1.643	4	105.8839	24.238	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CCHH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH){2|C<3>}	H(C[6]C[6]2C)	108.4390	0.000	1	108.4390	0.000	1	108.5867	1.643	4	105.8839	24.238	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H)	H(C[6]C[6]2C)	C[6](C[6]C[6]C)2(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	110.3380	0.000	1	110.3380	0.000	1	108.5867	1.643	4	105.8839	24.238	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]2Cr)(C[6]C[6]CH)(N[6]C[6]Mn)	H(C[6]C[6]2C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)(H){1|Cr<9>,1|Mn<6>,1|C<5>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Cr)(C[6]C[6]CH)(N[6]C[6]Mn){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2C)	108.6230	0.000	1	108.6230	0.000	1	108.6230	0.000	1	105.8839	24.238	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CSiH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CSiH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	103.2730	0.000	1	103.2730	0.000	1	103.2730	0.000	1	105.8839	24.238	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]CH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]CH)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]C)	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(H)2{5|C<3>}	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.2790	0.260	11	108.2790	0.067	11	108.2790	0.067	11	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.2965	0.006	2	108.2965	0.000	2	108.9110	1.652	9	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){1|Si<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.6030	0.925	2	110.0173	0.744	4	108.9110	1.652	9	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){1|Si<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4315	0.060	2	110.0173	0.744	4	108.9110	1.652	9	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CO)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CO)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8840	0.000	1	108.8840	0.000	1	108.9110	1.652	9	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]Si[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|Si<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]Si[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]2H)	107.3265	0.561	2	107.3265	0.314	2	108.9110	1.652	9	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0610	0.030	2	109.0610	0.001	2	109.1243	0.012	3	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.2510	0.000	1	109.2510	0.000	1	109.1243	0.012	3	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,4|C<4>,5|C<3>}	H(C[6]C[6]2H)	108.8525	0.019	2	108.8525	0.000	2	108.8525	0.000	2	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	110.6325	1.300	2	110.6325	1.691	2	110.3833	6.130	4	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]S[6]CH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6])(C[6]S[6]CH)(H)2{4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|H<1>,1|S<2>,7|C<3>}	H(C[6]C[6]2H)	110.1340	4.056	2	110.1340	16.451	2	110.3833	6.130	4	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6])(C[5]C[5]N[5])(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[5]C[5]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4605	0.013	2	109.4605	0.000	2	109.4605	0.000	2	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.6555	0.011	2	108.6555	0.000	2	108.8935	0.588	24	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8660	0.000	1	108.8660	0.000	1	108.8935	0.588	24	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.3155	0.084	4	109.3155	0.007	4	108.8935	0.588	24	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8975	0.023	2	109.0311	0.244	11	108.8935	0.588	24	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.5335	1.064	2	109.0311	0.244	11	108.8935	0.588	24	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.9257	0.338	7	109.0311	0.244	11	108.8935	0.588	24	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9985	0.013	2	108.9985	0.000	2	108.8935	0.588	24	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)2{4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.5585	0.050	2	109.5585	0.003	2	108.8935	0.588	24	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]Si[6]SiC)(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]Si[6]SiC)(H)2{1|Si<4>,1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){2|Si<4>,1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	106.7750	0.375	2	106.7750	0.140	2	108.8935	0.588	24	108.9074	1.087	56	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.5430	0.024	2	108.5430	0.001	2	108.5430	0.001	2	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:Br-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(Br)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]BrH)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(Br)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]BrH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2Br)	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2Br)	99.1751	0.000	1	99.1751	0.000	1	104.3011	52.551	2	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(Br)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2Br)	109.4270	0.000	1	109.4270	0.000	1	104.3011	52.551	2	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:Cl-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(Cl)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]2Cl)	108.8145	0.062	2	108.8145	0.004	2	108.8145	0.004	2	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:D-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]DH)(D)(H)	C[6](C[5,6]C[5,6]Ge[5])(C[6]C[6]DH)(H)	H(C[6]C[6]2D)	C[6](C[6]C[5,6]H)(C[6]C[6]DH)(D)(H){1|Ge<4>,1|C<3>,1|D<1>,1|H<1>}	C[6](C[5,6]C[5,6]Ge[5])(C[6]C[6]DH)(H){1|C<3>,1|D<1>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2D)	109.5870	0.000	1	109.5870	0.000	1	109.5870	0.000	1	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:F-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(O)	H(C[6]C[6]2F)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2F)	109.3410	0.000	1	109.3410	0.000	1	109.3410	0.000	1	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:Br-1:	C[6]-4:	C[6](C[6]C[3x6]Br)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]Br)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(Br){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1110	0.051	4	109.1110	0.003	4	109.1110	0.003	4	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8960	0.076	2	108.8960	0.006	2	109.1368	0.079	4	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[4x6]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[3x6]C[4x6]2)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3775	0.013	2	109.3775	0.000	2	109.1368	0.079	4	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(O){3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8600	0.010	2	108.8600	0.000	2	109.0962	0.074	4	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]O)(C[6]O[6]HH)(H)2	C[6](C[3x6]C[5,4x6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]O)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[6](C[3x6]C[5,4x6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3325	0.011	2	109.3325	0.000	2	109.0962	0.074	4	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,5]C[4,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[4,6]C[4,5]C[4,6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7510	0.000	1	108.7510	0.000	1	108.4918	3.268	10	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	108.8775	0.019	2	108.8870	0.000	3	108.4918	3.268	10	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9060	0.000	1	108.8870	0.000	3	108.4918	3.268	10	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]H)(C[6]O[6]HH)(H)2	C[6](C[4,6]C[4,5]C[4,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]H)(C[6]O[6]HH)(H)2{2|C<4>}	C[6](C[4,6]C[4,5]C[4,6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3125	2.950	4	108.3125	8.702	4	108.4918	3.268	10	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]H)(C[6]O[6]HH)(H)2	C[6](C[4,6]C[4,6]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]H)(C[6]O[6]HH)(H)2{2|C<4>}	C[6](C[4,6]C[4,6]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.1280	1.543	2	108.1280	2.381	2	108.4918	3.268	10	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5477	0.243	6	108.5477	0.059	6	108.5477	0.059	6	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,5|C<3>}	H(C[6]C[6]2H)	107.1785	0.185	2	107.1785	0.034	2	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.2560	0.031	2	108.2560	0.001	2	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9860	0.010	2	108.9860	0.000	2	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1788	1.147	6	109.1204	1.442	31	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|S<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0220	3.148	2	109.1204	1.442	31	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4040	0.068	4	109.1204	1.442	31	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.8600	1.435	2	109.1204	1.442	31	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|S<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8270	0.000	1	109.1204	1.442	31	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6570	0.010	2	109.1204	1.442	31	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2554	0.955	8	109.1204	1.442	31	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0365	2.860	2	109.1204	1.442	31	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7090	0.522	2	109.1204	1.442	31	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3020	0.013	2	109.1204	1.442	31	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7775	0.064	2	108.7320	0.014	5	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.6230	0.081	2	108.7320	0.014	5	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8590	0.000	1	108.7320	0.014	5	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|S<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H){1|N<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6350	0.071	3	109.6350	0.005	3	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0680	0.062	2	109.0680	0.004	2	108.9846	1.155	47	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[3x5]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[3x5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,6|C<4>}	H(C[6]C[6]2H)	109.0280	0.008	2	109.0280	0.000	2	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.3207	0.128	6	108.0020	1.095	20	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	107.6268	1.404	10	108.0020	1.095	20	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|H<1>,2|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.4620	0.195	4	108.0020	1.095	20	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6635	0.062	2	108.6635	0.004	2	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.4311	0.192	21	108.4223	0.033	29	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.4767	0.086	6	108.4223	0.033	29	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.1665	0.040	2	108.4223	0.033	29	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.1690	0.225	2	108.1690	0.051	2	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.5895	0.047	4	108.5895	0.002	4	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.3075	0.009	2	108.3075	0.000	2	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5700	0.020	2	108.6300	0.011	3	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7500	0.000	1	108.6300	0.011	3	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.5187	0.449	3	108.6777	0.084	30	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7330	0.040	3	108.6777	0.084	30	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5580	0.148	7	108.6777	0.084	30	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.8330	0.006	2	108.6777	0.084	30	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7720	0.000	1	108.6777	0.084	30	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.0625	0.011	2	108.6777	0.084	30	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3010	0.020	2	108.6777	0.084	30	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4780	0.316	4	108.6777	0.084	30	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2110	0.024	2	108.6777	0.084	30	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8050	0.027	2	108.6777	0.084	30	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7810	0.016	2	108.6777	0.084	30	108.4383	0.333	94	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.3330	0.039	4	108.3152	0.002	6	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.2795	0.022	2	108.3152	0.002	6	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.1225	0.011	2	107.7744	1.183	37	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|N<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.8055	0.075	4	107.7744	1.183	37	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.4000	0.161	4	107.7744	1.183	37	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	107.0643	1.289	16	107.7744	1.183	37	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.4457	0.172	3	107.7744	1.183	37	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.0940	0.045	2	107.7744	1.183	37	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	107.8492	0.640	4	107.7744	1.183	37	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.3175	0.008	2	107.7744	1.183	37	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	107.5825	2.212	4	107.5825	4.893	4	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.5210	0.000	1	108.4730	0.002	3	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.4490	0.017	2	108.4730	0.002	3	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.3710	0.006	2	108.4472	0.008	4	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5235	0.013	2	108.4472	0.008	4	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.7255	0.067	2	108.7255	0.005	2	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.4821	0.357	7	108.5755	0.153	17	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9960	0.222	2	108.5755	0.153	17	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.9445	0.032	2	108.5755	0.153	17	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6183	0.013	4	108.5755	0.153	17	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0270	0.006	2	108.5755	0.153	17	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.1305	0.011	2	108.9169	0.031	16	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8369	0.118	12	108.9169	0.031	16	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1835	0.088	2	108.9169	0.031	16	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0300	0.000	1	109.0300	0.000	1	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9850	0.017	2	108.2467	1.134	22	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	106.8395	0.934	2	108.2467	1.134	22	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.2905	1.085	16	108.2467	1.134	22	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5655	0.012	2	108.2467	1.134	22	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0463	0.112	4	109.0463	0.013	4	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]O[6]CH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.7165	0.040	2	108.7165	0.002	2	108.2802	0.918	118	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S-1:	C[6]-4:	C[6](C[6]C[5a,6]S)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(S)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8010	0.004	2	108.8010	0.000	2	108.8010	0.000	2	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:Br-1:	C[6]-4:	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(Br){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5102	0.089	6	109.5102	0.008	6	109.5102	0.008	6	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.0565	0.066	4	109.0565	0.004	4	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	110.0195	1.360	2	110.0195	1.849	2	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.8355	0.006	2	108.8355	0.000	2	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.0385	0.019	2	109.1653	0.020	8	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.2075	0.033	2	109.1653	0.020	8	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.2075	0.177	4	109.1653	0.020	8	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1570	0.031	2	109.5877	0.285	4	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.0185	0.333	2	109.5877	0.285	4	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1303	0.046	4	109.1303	0.002	4	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1815	0.065	4	109.1815	0.004	4	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4607	0.577	6	109.4607	0.332	6	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4665	0.015	2	109.4728	0.000	4	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4790	0.021	2	109.4728	0.000	4	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2858	0.067	6	109.3038	0.043	48	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1360	0.000	1	109.3038	0.043	48	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2040	0.044	2	109.3038	0.043	48	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0933	0.516	4	109.3038	0.043	48	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5835	0.030	2	109.3038	0.043	48	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3875	0.133	6	109.3038	0.043	48	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1055	0.028	2	109.3038	0.043	48	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4041	0.120	9	109.3038	0.043	48	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|B<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5730	0.013	2	109.3038	0.043	48	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	109.2054	0.128	10	109.3038	0.043	48	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3530	0.045	4	109.3038	0.043	48	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H){1|Ge<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4785	0.026	2	109.2285	0.084	4	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9785	0.012	2	109.2285	0.084	4	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.1679	0.369	17	109.1679	0.136	17	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]SS)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]SS)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.0607	0.224	8	109.0607	0.050	8	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6895	0.012	2	109.6895	0.000	2	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)2{2|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5743	0.019	4	109.5743	0.000	4	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(H)2{2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6685	0.005	2	109.6685	0.000	2	109.2875	0.112	123	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,5|C<4>}	H(C[6]C[6]2H)	108.9645	0.033	2	108.9645	0.001	2	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[4x6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[4x6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,5|C<4>}	H(C[6]C[6]2H)	108.8053	0.071	4	108.8053	0.005	4	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	108.4730	0.199	4	108.4730	0.040	4	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	108.5403	0.082	7	108.6782	0.189	44	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.7191	0.275	15	108.6782	0.189	44	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.7516	0.639	17	108.6782	0.189	44	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){2|C<3>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.4986	0.153	5	108.6782	0.189	44	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.6050	0.100	3	108.7193	0.025	16	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.7273	0.134	7	108.7193	0.025	16	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.7580	0.079	2	108.7193	0.025	16	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|H<1>,2|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.9905	0.015	2	108.7193	0.025	16	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.5530	0.041	2	108.7193	0.025	16	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.3164	1.177	27	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.3920	1.245	31	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.5882	0.159	5	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.0340	0.000	1	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.9837	1.474	6	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	108.8669	0.143	7	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.4980	0.000	1	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.7279	0.314	191	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6639	0.187	155	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.7845	0.054	2	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7872	0.106	6	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,6|C<4>}	H(C[6]C[6]2H)	108.5285	0.005	2	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.0325	0.091	2	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0680	0.041	2	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.5570	0.010	2	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.6320	0.038	2	108.6470	0.291	442	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.8000	0.004	2	108.8000	0.000	2	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	106.3330	1.452	2	108.0723	2.268	6	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9420	0.227	4	108.0723	2.268	6	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.3670	0.000	1	109.3670	0.000	1	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.1785	0.035	4	108.1785	0.001	4	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3525	0.154	6	109.1913	0.071	12	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7000	0.027	2	109.1913	0.071	12	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1953	0.091	4	109.1913	0.071	12	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9710	0.057	2	108.8066	0.054	16	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1350	0.000	1	108.8066	0.054	16	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8460	0.011	2	108.8066	0.054	16	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7172	0.244	10	108.8066	0.054	16	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9650	0.000	1	108.8066	0.054	16	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7795	0.006	2	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.6985	0.018	2	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.7334	0.388	8	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.5307	0.461	4	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9010	0.038	2	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0435	0.192	12	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1390	0.025	2	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6692	0.978	17	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9128	1.174	45	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8480	0.640	39	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2293	0.200	4	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0241	0.114	15	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3625	0.005	2	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8843	0.521	4	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9517	0.246	3	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1780	0.014	2	108.8885	0.618	163	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(O){2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.9865	0.009	2	108.9865	0.000	2	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2025	0.012	2	109.2025	0.000	2	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	105.5385	1.996	2	105.5385	3.985	2	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]N[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0915	0.009	2	109.0915	0.000	2	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7135	0.030	2	108.7135	0.001	2	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7420	0.010	2	109.7420	0.000	2	108.7103	0.401	728	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O){2|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.1393	0.514	6	108.1393	0.264	6	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	108.7643	0.228	32	108.6560	0.196	61	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|N<2>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.5584	0.208	5	108.6560	0.196	61	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,5|C<3>}	H(C[6]C[6]2H)	108.8085	0.012	2	108.6560	0.196	61	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.9550	0.008	2	108.6560	0.196	61	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.9670	0.230	3	108.6560	0.196	61	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.5036	0.826	11	108.6560	0.196	61	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){3|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.3750	0.016	2	108.6560	0.196	61	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.0130	0.096	4	108.6560	0.196	61	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6850	0.007	2	108.5261	0.077	12	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6466	0.358	5	108.5261	0.077	12	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.3420	0.095	5	108.5261	0.077	12	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9465	0.448	4	108.9465	0.201	4	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2060	0.014	2	108.7683	0.172	10	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.1450	0.037	2	108.7683	0.172	10	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8565	0.033	2	108.7683	0.172	10	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.3170	0.127	4	108.7683	0.172	10	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.7670	0.000	1	108.7670	0.000	1	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3935	0.046	2	108.8875	0.197	56	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9360	0.080	4	108.8875	0.197	56	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1269	0.271	9	108.8875	0.197	56	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.6762	0.729	5	108.8875	0.197	56	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	108.6825	0.005	2	108.8875	0.197	56	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9857	0.147	3	108.8875	0.197	56	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7800	0.007	2	108.8875	0.197	56	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7664	0.526	17	108.8875	0.197	56	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8575	0.155	6	108.8875	0.197	56	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9313	0.258	6	108.8875	0.197	56	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2840	0.000	1	109.2840	0.000	1	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.2248	0.652	6	108.4690	0.363	10	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0815	0.052	2	108.4690	0.363	10	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5890	0.035	2	108.4690	0.363	10	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	109.0958	0.046	4	109.0620	0.009	10	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	109.0395	0.116	6	109.0620	0.009	10	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.8033	0.196	4	108.8033	0.038	4	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3155	0.013	2	109.3155	0.000	2	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<2>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9680	0.027	2	109.0523	0.044	13	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0356	0.241	9	109.0523	0.044	13	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.2120	0.004	2	109.0523	0.044	13	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3060	0.006	2	109.3060	0.000	2	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CO)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	109.3800	0.000	1	109.3800	0.000	1	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4235	0.035	4	109.4235	0.001	4	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]S[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]S[6]CH)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8675	0.015	2	108.8675	0.000	2	108.7871	0.212	199	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]2H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]2H)(H)2{1|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.0480	0.013	4	108.0480	0.000	4	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CC)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CC)(H)2{1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.4935	0.080	2	108.4935	0.006	2	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1315	0.036	2	108.4128	0.325	13	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5745	0.042	2	108.4128	0.325	13	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5990	0.051	2	108.4128	0.325	13	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4115	0.035	2	108.4128	0.325	13	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.2940	0.010	3	108.4128	0.325	13	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	107.5260	0.014	2	108.4128	0.325	13	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	108.3525	0.030	2	108.2095	0.028	4	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6]2H)	108.0665	0.022	2	108.2095	0.028	4	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3660	0.011	2	108.3660	0.000	2	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.3080	0.006	2	108.3080	0.000	2	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.5140	0.027	2	107.5140	0.001	2	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	107.9468	0.076	4	107.9468	0.006	4	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|Si<4>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.8910	0.008	4	108.6043	0.106	26	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|Si<5>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.9788	0.101	6	108.6043	0.106	26	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.4960	0.011	2	108.6043	0.106	26	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.8115	0.030	2	108.6043	0.106	26	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.1720	0.126	2	108.6043	0.106	26	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.3100	0.195	2	108.6043	0.106	26	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.2195	0.045	4	108.6043	0.106	26	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.3900	0.007	2	108.6043	0.106	26	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5195	0.006	2	108.6043	0.106	26	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	107.8180	0.024	2	107.6646	1.817	10	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3315	0.043	2	107.6646	1.817	10	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.5595	0.015	2	107.6646	1.817	10	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	105.8590	2.548	2	107.6646	1.817	10	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7550	0.014	2	107.6646	1.817	10	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.2695	0.042	2	108.2695	0.002	2	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]S[6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]S[6]CH)(H)2{2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|S<2>,3|H<1>}	H(C[6]C[6]2H)	108.6280	0.321	4	108.6280	0.103	4	108.3061	0.439	75	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:S-1:	C[6]-4:	C[6](C[6]N[5,6]S)(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(S)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]S)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.5440	0.055	2	107.5440	0.003	2	107.5440	0.003	2	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5a,6]O)(C[6]C[6]CH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.0540	0.045	4	108.0540	0.002	4	108.5496	0.151	15	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8176	0.218	9	108.8176	0.048	9	108.5496	0.151	15	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5a,6]O)(C[6]S[6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]O)(C[6]S[6]HH)(H)2{2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3350	0.023	2	108.3350	0.001	2	108.5496	0.151	15	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	107.2915	1.066	4	107.2915	1.136	4	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.3665	0.021	2	108.3665	0.000	2	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.6300	0.000	1	108.7587	0.013	3	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8230	0.017	2	108.7587	0.013	3	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.5355	0.005	2	108.6012	0.471	67	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.3082	1.168	5	108.6012	0.471	67	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8980	0.034	2	108.6012	0.471	67	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4038	2.196	4	108.6012	0.471	67	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0955	0.026	2	108.6012	0.471	67	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9927	0.081	3	108.6012	0.471	67	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.3198	0.167	6	108.6012	0.471	67	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6933	0.546	6	108.6012	0.471	67	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.6580	0.000	1	108.6012	0.471	67	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.5755	0.022	2	108.6012	0.471	67	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.9112	0.539	4	108.6012	0.471	67	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.6186	0.204	30	108.6012	0.471	67	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HS)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HS)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|S<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4500	0.004	2	108.4500	0.000	2	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2{1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8655	0.011	2	108.8655	0.000	2	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]O[6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]O[6]CH)(H)2{2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9440	0.025	2	109.9440	0.001	2	108.5729	0.560	82	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:S-1:	C[6]-4:	C[6](C[6]N[6,6]S)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(S)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]S)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(S){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	105.5850	1.160	2	105.5850	1.345	2	105.5850	1.345	2	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:1:	4:	C[6]-3:S[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(O)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]S[6]H)	110.2455	1.626	8	110.2455	2.642	8	110.2455	2.642	8	108.6984	0.584	1538	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.6200	8.651	2	108.6200	74.835	2	108.6200	74.835	2	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9235	0.012	2	108.9235	0.000	2	108.6902	0.079	6	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(NO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8135	0.009	2	108.8135	0.000	2	108.6902	0.079	6	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[5a,6]N)(C[6]O[6]CH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NS)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]N)(C[6]O[6]CH)(H)2{1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NS){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.3335	0.016	2	108.3335	0.000	2	108.6902	0.079	6	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(N[6]N[6])	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(N[6]N[6]){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6580	0.027	2	109.6580	0.001	2	109.6580	0.001	2	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a])	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.7245	0.006	2	108.7245	0.000	2	108.3450	0.193	4	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NN){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	107.9655	0.046	2	107.9655	0.002	2	108.3450	0.193	4	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.7140	0.013	2	108.7140	0.000	2	108.2122	0.572	6	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.5335	1.172	2	107.9613	0.702	4	108.2122	0.572	6	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3890	0.037	2	107.9613	0.702	4	108.2122	0.572	6	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3065	0.009	2	109.3065	0.000	2	109.3065	0.000	2	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN[5])	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H)2{1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN[5]){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.5280	0.016	2	108.5280	0.000	2	108.9614	0.108	33	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCl)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCl){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7915	0.042	2	108.7915	0.002	2	108.9614	0.108	33	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9842	0.409	17	108.9842	0.168	17	108.9614	0.108	33	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9895	0.019	2	108.9890	0.001	6	108.9614	0.108	33	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9887	0.043	4	108.9890	0.001	6	108.9614	0.108	33	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1460	0.251	4	109.1460	0.063	4	108.9614	0.108	33	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]O[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]O[6]CC)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9190	0.065	2	108.9190	0.004	2	108.9614	0.108	33	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2895	0.057	2	109.6284	2.223	16	109.4755	1.680	22	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4900	0.017	2	109.6284	2.223	16	109.4755	1.680	22	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7635	0.028	2	109.6284	2.223	16	109.4755	1.680	22	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.7415	0.015	2	109.6284	2.223	16	109.4755	1.680	22	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.0540	0.007	2	109.6284	2.223	16	109.4755	1.680	22	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4975	0.177	4	109.6284	2.223	16	109.4755	1.680	22	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){3|C<3>,5|H<1>}	H(C[6]C[6]2H)	110.6940	5.470	2	109.6284	2.223	16	109.4755	1.680	22	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	108.6625	0.011	2	108.6625	0.000	2	109.4755	1.680	22	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3885	0.006	2	109.3885	0.000	2	109.4755	1.680	22	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]N[6]CC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]N[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1515	0.053	2	109.1515	0.003	2	109.4755	1.680	22	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:S[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(S[6]N[6]OO)(Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]ClH)(NN)	H(C[6]C[6]S[6]Cl)	C[6](C[6]C[6,6a]N)(S[6]N[6]OO)(Cl)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]ClH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]S[6]Cl)	108.9432	0.378	6	108.9432	0.143	6	108.9432	0.143	6	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:2:	4:	C[6]-3:S[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(S[6]N[6]OO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6a]N)(S[6]N[6]OO)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]S[6]H)	109.4681	0.163	22	109.4681	0.026	22	109.4681	0.026	22	109.1023	1.284	106	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6,6]C[6]3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6,6]C[6]3)(H)2{2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.0835	0.013	2	109.0835	0.000	2	109.0835	0.000	2	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[4]C[4]P[4])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[6](C[4]C[4]P[4])(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.4797	0.839	4	108.4797	0.704	4	108.4797	0.704	4	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6]2H)	108.8460	0.037	2	108.8460	0.001	2	109.0240	0.210	16	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2{1|O<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.3475	0.053	2	108.3475	0.003	2	109.0240	0.210	16	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3915	0.022	2	109.3915	0.000	2	109.0240	0.210	16	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]H){1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8840	0.660	4	108.8840	0.436	4	109.0240	0.210	16	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CHO){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.1050	0.014	2	109.1050	0.000	2	109.0240	0.210	16	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4370	0.031	2	109.4370	0.001	2	109.0240	0.210	16	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HN)(H)2	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2970	0.011	2	109.2970	0.000	2	109.0240	0.210	16	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[5,6]N)(C[6]C[6]CH)(H)2	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2795	0.009	2	109.2795	0.000	2	109.2162	0.028	6	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO){2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1845	0.206	4	109.1845	0.042	4	109.2162	0.028	6	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCH){1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.4055	0.011	2	109.4055	0.000	2	109.1230	0.141	18	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]CC)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.1200	0.010	2	109.1200	0.000	2	109.1230	0.141	18	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCC){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7182	0.083	4	108.7182	0.007	4	109.1230	0.141	18	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1245	0.006	2	109.1245	0.000	2	109.1230	0.141	18	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6705	0.113	4	109.6705	0.013	4	109.1230	0.141	18	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CHS)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|N<3>,1|S<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CHS){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8885	0.012	2	108.8885	0.000	2	109.1230	0.141	18	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHS)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHS){2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	108.7910	0.016	2	108.7910	0.000	2	109.1230	0.141	18	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[5a,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[5])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.9535	0.050	2	109.9535	0.003	2	109.9535	0.003	2	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]CO)(H)2	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]CO)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.7360	0.000	1	108.7360	0.000	1	108.8559	0.130	11	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2580	0.014	2	109.2580	0.000	2	108.8559	0.130	11	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0050	0.034	2	109.0050	0.001	2	108.8559	0.130	11	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	108.2070	0.064	2	108.5203	0.133	4	108.8559	0.130	11	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8335	0.040	2	108.5203	0.133	4	108.8559	0.130	11	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]C[6]2H)	109.0360	0.034	2	109.0360	0.001	2	108.8559	0.130	11	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2280	0.017	2	109.2280	0.000	2	109.3007	0.127	42	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0000	0.000	1	109.0000	0.000	1	109.3007	0.127	42	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]Ir)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]Ir){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2035	0.518	13	109.2035	0.269	13	109.3007	0.127	42	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CIrC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CIrC){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0983	0.164	4	109.0983	0.027	4	109.3007	0.127	42	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0035	0.013	2	109.3153	0.059	6	109.3007	0.127	42	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4712	0.021	4	109.3153	0.059	6	109.3007	0.127	42	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[5a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2560	0.027	2	109.2560	0.001	2	109.3007	0.127	42	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6000	0.025	2	109.5125	0.005	6	109.3007	0.127	42	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4688	0.031	4	109.5125	0.005	6	109.3007	0.127	42	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CHO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7275	0.046	4	109.7275	0.002	4	109.3007	0.127	42	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HN)(H)2	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9940	0.007	2	108.9940	0.000	2	109.3007	0.127	42	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]N[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3780	0.010	2	109.3780	0.000	2	109.3007	0.127	42	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Co)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Co){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9965	0.101	2	108.9965	0.010	2	109.2554	0.100	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Fe)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Fe){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3661	0.241	16	109.3661	0.058	16	109.2554	0.100	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1921	0.345	20	109.1921	0.119	20	109.2554	0.100	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Pd)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Pd){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3950	0.153	10	109.3950	0.023	10	109.2554	0.100	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5645	0.080	2	108.5645	0.006	2	109.2554	0.100	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.9010	0.016	2	108.9010	0.000	2	109.1858	0.253	35	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.2390	0.000	1	109.5995	0.260	2	109.1858	0.253	35	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.9600	0.000	1	109.5995	0.260	2	109.1858	0.253	35	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCC){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8110	0.017	2	108.8110	0.000	2	109.1858	0.253	35	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.3640	0.013	2	108.3640	0.000	2	109.1858	0.253	35	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.1110	0.038	2	109.7515	0.173	4	109.1858	0.253	35	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3920	0.007	2	109.7515	0.173	4	109.1858	0.253	35	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]C)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]C){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.1495	0.086	2	110.1495	0.007	2	109.1858	0.253	35	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]Pd)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]Pd){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7585	0.015	2	109.7585	0.000	2	109.1858	0.253	35	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0383	0.370	6	109.0383	0.137	6	109.1858	0.253	35	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(CCH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2635	0.023	2	109.2635	0.001	2	109.1858	0.253	35	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CBrH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CBrH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0432	0.153	9	109.0432	0.023	9	109.1858	0.253	35	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5920	0.024	2	108.5920	0.001	2	109.1858	0.253	35	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2){1|O<2>,5|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.9203	0.174	3	109.9748	0.021	5	109.9748	0.021	5	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	110.0565	0.005	2	109.9748	0.021	5	109.9748	0.021	5	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NNiN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NNiN){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8002	0.070	6	108.8002	0.005	6	108.8002	0.005	6	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8420	0.025	2	108.8140	0.002	4	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7860	0.045	2	108.8140	0.002	4	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.9565	0.030	2	108.1167	0.497	10	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1568	0.794	8	108.1167	0.497	10	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	107.7665	0.006	2	107.7665	0.000	2	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	108.7435	0.936	2	108.5464	0.652	5	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	107.9630	0.614	2	108.5464	0.652	5	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3190	0.000	1	108.5464	0.652	5	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9180	0.011	2	109.1070	0.031	5	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2330	0.049	3	109.1070	0.031	5	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]C)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6315	0.008	2	109.6315	0.000	2	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]N)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]N){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1960	0.057	2	109.1960	0.003	2	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2760	0.038	2	109.2760	0.001	2	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.9545	0.005	2	108.9277	0.011	6	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0295	0.022	2	108.9277	0.011	6	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7990	0.018	2	108.9277	0.011	6	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	107.9045	0.030	2	109.2200	3.492	8	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<4>,2|C<3>,2|F<1>,4|H<1>}	H(C[6]C[6]2H)	108.6637	0.602	4	109.2200	3.492	8	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	111.6480	2.621	2	109.2200	3.492	8	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2600	0.011	2	109.2600	0.000	2	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.4525	0.056	2	109.4525	0.003	2	108.8236	0.903	50	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]Rh)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]Rh){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.3255	0.013	2	108.3255	0.000	2	108.3255	0.000	2	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H)2	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)2	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3870	0.052	2	109.3870	0.003	2	109.6993	0.248	12	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)2	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7618	0.526	10	109.7618	0.277	10	109.6993	0.248	12	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0250	0.018	2	109.0250	0.000	2	109.0250	0.000	2	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:3:	4:	C[6]-3:Si[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(Si[6]C[6]SiO)(H)2	C[6](C[6]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]2)	H(C[6]Si[6]C[6]H)	C[6](C[6]C[6a]C[6])(Si[6]C[6]SiO)(H)2{1|Si<4>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]2){1|Si<4>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]Si[6]C[6]H)	107.0560	0.122	2	107.0560	0.015	2	107.0560	0.015	2	109.1235	0.393	266	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.2799	0.231	16	108.2799	0.053	16	108.5418	0.162	28	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9537	0.082	4	108.9537	0.007	4	108.5418	0.162	28	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9960	0.035	2	108.9960	0.001	2	108.5418	0.162	28	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CHHO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5387	0.019	4	108.5387	0.000	4	108.5418	0.162	28	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3655	0.067	2	109.3655	0.005	2	108.5418	0.162	28	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[5,6]P)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(PC[6a]2O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]P)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(PC[6a]2O){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6]2H)	109.0825	0.011	2	109.0825	0.000	2	109.0825	0.000	2	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.6570	0.292	4	108.6570	0.086	4	109.2660	0.154	18	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4400	0.187	14	109.4400	0.035	14	109.2660	0.154	18	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.3477	0.067	3	109.3477	0.004	3	109.3477	0.004	3	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.0170	0.059	2	109.0170	0.004	2	108.7960	0.033	10	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8700	0.018	2	108.7398	0.034	6	108.7960	0.033	10	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8465	0.005	2	108.7398	0.034	6	108.7960	0.033	10	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5030	0.017	2	108.7398	0.034	6	108.7960	0.033	10	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CCHH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7435	0.035	2	108.7435	0.001	2	108.7960	0.033	10	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|F<1>,4|H<1>}	H(C[6]C[6]2H)	105.1290	3.913	4	105.1290	15.312	4	105.1290	15.312	4	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]C)(C[6]O[6]CC)(H)2	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C)(C[6]O[6]CC)(H)2{1|In<5>,1|C<4>}	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3){1|Cl<1>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.5213	0.091	4	108.6750	0.082	8	108.6750	0.082	8	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	3:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]C)(C[6]O[6]CC)(H)2	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C)(C[6]O[6]CC)(H)2{1|In<5>,1|C<4>}	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3){1|N<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.8287	0.348	4	108.6750	0.082	8	108.6750	0.082	8	108.6307	1.564	73	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:3:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[5]-3:C[6]-2:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]O[6]CC)(H)2	C[6](C[6]C[6]HH)(C[5]N[5]2)(C[6]B[6])	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]O[6]CC)(H)2{1|B<4>,2|N<3>}	C[6](C[6]C[6]HH)(C[5]N[5]2)(C[6]B[6]){1|O<2>,4|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.4868	0.083	4	108.4868	0.007	4	108.4868	0.007	4	108.4868	0.007	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:3:3:	4:	C[6]-3:C[6]-4:Br-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(Br)(H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]2Br)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(Br)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2Br)	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	109.3485	0.962	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:3:3:	4:	C[6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(Cl)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2Cl)	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	109.3485	0.962	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:3:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2005	0.019	2	109.2005	0.000	2	109.9208	0.324	6	109.3485	0.962	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:3:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2){2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.2810	0.147	4	110.2810	0.021	4	109.9208	0.324	6	109.3485	0.962	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:3:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]H){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.6005	0.008	2	108.6005	0.000	2	108.6005	0.000	2	109.3485	0.962	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]C[5])(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]C[5])(C[6]C[6]HH){1|N<3>,1|O<1>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7115	0.046	2	109.7115	0.002	2	109.7115	0.002	2	109.5487	0.081	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:3:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|S<4>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	109.5487	0.081	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]CC)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8990	0.085	4	108.8990	0.007	4	107.6136	3.728	25	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	107.7490	0.116	2	107.7490	0.013	2	107.6136	3.728	25	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	103.7275	1.378	2	103.7275	1.899	2	107.6136	3.728	25	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.0765	1.859	2	106.0765	3.456	2	107.6136	3.728	25	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3282	2.044	4	108.3282	4.179	4	107.6136	3.728	25	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1145	0.008	2	108.1145	0.000	2	107.6136	3.728	25	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O){1|C<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1690	0.000	1	108.7400	0.138	3	107.6136	3.728	25	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.5255	0.030	2	108.7400	0.138	3	107.6136	3.728	25	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]N[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]N[5])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.8550	0.000	2	107.8550	0.000	2	107.6136	3.728	25	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	105.4600	3.452	2	105.4600	11.917	2	107.6136	3.728	25	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.6225	0.015	2	108.6225	0.000	2	107.6136	3.728	25	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.8733	0.366	3	108.8733	0.134	3	108.8733	0.134	3	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,5,5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,5,5,6]O)(C[6]C[6]HH)(H)2	C[6](C[4,5,5,6]C[4,5,6]C[4,5]C[5,5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4,5,5,6]C[4,5,6]C[4,5]C[5,5])(C[6]C[6]HH)(O){1|C<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.1950	0.051	2	109.1950	0.003	2	109.1950	0.003	2	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)2	C[6](C[4,5,6]C[4,5,6,6]C[5,6a]C[4])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[4,5,6]C[4,5,6,6]C[5,6a]C[4])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9880	0.016	2	108.9880	0.000	2	108.9880	0.000	2	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7700	0.010	2	108.7700	0.000	2	108.6813	2.105	6	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(O){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.0505	0.466	2	107.0505	0.217	2	108.6813	2.105	6	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6,6]O)(C[6]O[6]CC)(H)2	C[6](C[4,6,6]C[4,6]C[6,6]C[4])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]O)(C[6]O[6]CC)(H)2{1|C<3>,2|C<4>}	C[6](C[4,6,6]C[4,6]C[6,6]C[4])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	110.2235	0.467	2	110.2235	0.218	2	108.6813	2.105	6	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]C[6]CC)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(O){1|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.2045	0.176	4	108.2045	0.031	4	109.2986	0.541	32	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7920	1.164	4	109.5018	1.021	6	109.2986	0.541	32	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(O){3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9215	0.186	2	109.5018	1.021	6	109.2986	0.541	32	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.3315	0.056	2	108.3315	0.003	2	109.2986	0.541	32	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]N[6]CH)(H)2	C[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6]HH)(O){2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	110.0870	0.400	2	110.0870	0.160	2	109.2986	0.541	32	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5302	0.136	6	109.5302	0.019	6	109.2986	0.541	32	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2147	0.555	6	109.2147	0.308	6	109.2986	0.541	32	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7368	0.147	6	109.7368	0.021	6	109.2986	0.541	32	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(O){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.6840	0.017	2	108.6840	0.000	2	109.0775	0.094	6	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(O){1|S<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.2742	0.042	4	109.2742	0.002	4	109.0775	0.094	6	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,3x6]O)(C[6]C[6]HH)(H)2	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(O){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.9070	0.010	2	108.9070	0.000	2	108.9070	0.000	2	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6,6]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6,6]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5560	0.035	2	109.5560	0.001	2	109.5560	0.001	2	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,5,6]O)(C[6]C[6]CH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7840	0.007	2	108.5562	0.849	12	108.5581	0.623	16	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,5,6]O)(C[6]C[6]CH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(O){5|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.5107	1.012	10	108.5562	0.849	12	108.5581	0.623	16	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,4|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.5635	0.038	4	108.5635	0.001	4	108.5581	0.623	16	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2725	0.042	2	109.2725	0.002	2	109.2725	0.002	2	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O){1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4380	0.008	2	109.4380	0.000	2	108.7767	1.959	35	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	105.1850	0.878	2	106.2173	1.694	4	108.7767	1.959	35	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.2495	0.221	2	106.2173	1.694	4	108.7767	1.959	35	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(O){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	110.1930	0.000	1	110.1930	0.000	1	108.7767	1.959	35	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O){1|C<3>,1|I<1>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.8515	0.006	2	109.5774	0.271	11	108.7767	1.959	35	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	110.1145	0.363	4	109.5774	0.271	11	108.7767	1.959	35	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(O){1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4380	0.051	5	109.5774	0.271	11	108.7767	1.959	35	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3107	0.191	3	108.5603	1.436	15	108.7767	1.959	35	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	109.6425	0.045	2	108.5603	1.436	15	108.7767	1.959	35	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3700	0.011	2	108.5603	1.436	15	108.7767	1.959	35	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4110	0.000	1	108.5603	1.436	15	108.7767	1.959	35	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	107.5766	1.095	7	108.5603	1.436	15	108.7767	1.959	35	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HO)(H)2	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7460	0.025	2	109.7460	0.001	2	108.7767	1.959	35	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8118	1.091	4	109.0081	0.761	7	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2700	0.562	3	109.0081	0.761	7	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.3060	0.310	8	109.3060	0.096	8	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9973	0.264	3	109.0240	0.029	7	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0440	0.101	4	109.0240	0.029	7	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1510	0.358	4	109.1510	0.128	4	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1420	0.000	1	109.1420	0.000	1	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.0520	0.835	4	106.0520	0.697	4	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	108.5230	0.023	2	108.5230	0.001	2	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6500	0.004	2	109.4808	0.023	8	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5490	0.051	2	109.4808	0.023	8	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3620	0.113	4	109.4808	0.023	8	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	108.4795	0.033	2	108.4795	0.001	2	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	106.6130	0.882	2	106.6130	0.779	2	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O){2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.0290	0.079	4	109.0290	0.006	4	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1515	0.515	2	109.1515	0.266	2	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9530	0.000	1	108.9530	0.000	1	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3185	0.019	2	109.3185	0.000	2	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3287	0.038	3	109.6767	0.199	9	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1360	0.148	4	109.6767	0.199	9	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2800	0.024	2	109.6767	0.199	9	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2H)	105.1925	3.156	4	105.1925	9.958	4	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2007	0.374	6	108.9932	0.090	17	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8181	0.179	8	108.9932	0.090	17	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0450	0.073	3	108.9932	0.090	17	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.9080	0.000	1	109.9080	0.000	1	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	110.3050	0.038	2	110.3050	0.001	2	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8690	0.010	2	108.8690	0.000	2	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5530	0.504	3	108.5530	0.254	3	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7825	0.012	2	108.7825	0.000	2	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3675	0.005	2	109.3675	0.000	2	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4050	0.042	2	109.4050	0.002	2	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.7400	0.062	2	109.2972	4.050	5	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.4640	0.000	1	109.2972	4.050	5	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2H)	110.2710	3.603	2	109.2972	4.050	5	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9050	0.031	2	108.9050	0.001	2	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(O){1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3910	0.000	1	109.3910	0.000	1	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3145	0.052	2	108.3145	0.003	2	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HS)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HS)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|N<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5230	0.100	4	108.5230	0.010	4	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2{4|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.9810	0.072	5	108.9810	0.005	5	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2{4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|N<3>,6|H<1>}	H(C[6]C[6]2H)	108.5755	0.018	2	108.5755	0.000	2	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	110.1535	0.050	2	110.1535	0.003	2	108.8616	1.498	121	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.3865	2.040	2	108.3865	4.162	2	108.3865	4.162	2	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(O){2|C<3>,5|C<4>}	H(C[6]C[6]2H)	109.6200	0.020	2	109.6200	0.000	2	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.6290	0.017	2	109.6290	0.000	2	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3405	0.045	2	109.3247	0.054	6	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.0590	0.006	2	109.3247	0.054	6	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.5745	0.032	2	109.3247	0.054	6	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.4708	0.030	4	109.4708	0.001	4	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6]2H)	109.4060	0.010	2	109.4060	0.000	2	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3072	0.285	18	109.3072	0.081	18	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2535	0.004	4	109.6540	0.184	8	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0545	0.029	4	109.6540	0.184	8	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3450	1.762	2	109.3450	3.105	2	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3415	0.132	6	109.3415	0.017	6	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2070	0.000	1	109.3038	0.010	5	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4125	0.015	2	109.3038	0.010	5	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2435	0.021	2	109.3038	0.010	5	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5565	0.012	2	109.5565	0.000	2	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3,3x6]C[6,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[3,3x6]C[6,6]C)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9385	0.521	6	108.9385	0.272	6	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.5190	0.027	2	109.5190	0.001	2	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5460	0.222	9	109.5460	0.049	9	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2765	0.012	2	109.2765	0.000	2	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(O){5|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.6900	0.051	4	108.6900	0.003	4	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9280	0.016	2	109.6048	0.444	25	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1230	0.000	1	109.6048	0.444	25	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9503	0.739	10	109.6048	0.444	25	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.3245	0.046	2	109.6048	0.444	25	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5440	0.322	4	109.6048	0.444	25	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4688	0.749	6	109.6048	0.444	25	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5235	1.173	8	109.5042	0.903	12	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1935	0.006	2	109.5042	0.903	12	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7375	0.030	2	109.5042	0.903	12	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(O){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0265	0.035	2	109.0265	0.001	2	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9230	0.061	4	108.9230	0.004	4	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0755	0.012	2	109.1257	0.259	49	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4100	0.000	1	109.1257	0.259	49	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7060	0.013	2	109.1257	0.259	49	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3720	0.018	2	109.1257	0.259	49	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.6420	0.021	2	109.1257	0.259	49	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9117	0.042	4	109.1257	0.259	49	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5655	0.015	2	109.1257	0.259	49	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4793	0.056	4	109.1257	0.259	49	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9165	0.018	2	109.1257	0.259	49	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8527	0.388	12	109.1257	0.259	49	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4622	0.522	16	109.1257	0.259	49	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5865	0.032	2	108.5865	0.001	2	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3990	0.063	4	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3330	0.031	2	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4100	0.041	2	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.5565	0.229	4	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.9410	0.037	2	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2980	0.000	1	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4762	0.394	4	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4050	0.247	6	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4287	0.022	4	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.0040	1.012	8	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6650	0.013	2	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9330	0.076	2	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7610	0.082	2	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8025	0.155	2	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4485	0.059	2	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0830	0.092	6	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7305	0.087	2	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4483	0.332	3	109.3120	0.228	58	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8380	0.000	1	108.8380	0.000	1	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.5065	0.026	2	109.5065	0.001	2	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6480	0.000	1	109.6480	0.000	1	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(O){1|O<2>,1|S<4>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.8609	0.748	7	107.8609	0.559	7	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(O){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7620	0.000	1	109.7620	0.000	1	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.7758	0.287	4	109.3826	0.247	18	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	H(C[6]C[6]2H)	109.3460	0.578	8	109.3826	0.247	18	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.1692	0.376	6	109.3826	0.247	18	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	107.7980	0.740	2	107.2357	5.276	6	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.9545	2.880	4	107.2357	5.276	6	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	107.8395	0.032	2	107.8395	0.001	2	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:1:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2{3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	106.5540	5.268	2	106.5540	27.751	2	109.2054	0.679	272	108.9961	1.202	528	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6510	0.000	1	109.3933	0.056	3	109.3933	0.056	3	109.2215	1.716	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN){1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2645	0.108	2	109.3933	0.056	3	109.3933	0.056	3	109.2215	1.716	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(NN){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.8525	0.006	2	108.8525	0.000	2	108.8525	0.000	2	109.2215	1.716	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CC){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4785	0.272	4	109.4785	0.074	4	109.4785	0.074	4	109.2215	1.716	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(NO){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.1085	0.069	2	109.1085	0.005	2	109.1595	2.920	13	109.2215	1.716	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NO){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0363	0.490	3	109.0363	0.240	3	109.1595	2.920	13	109.2215	1.716	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NN){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7540	0.011	2	108.7540	0.000	2	109.1595	2.920	13	109.2215	1.716	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.8095	5.768	2	109.5405	11.187	4	109.1595	2.920	13	109.2215	1.716	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NN){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.2715	0.060	2	109.5405	11.187	4	109.1595	2.920	13	109.2215	1.716	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:2:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]O[6]HO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.0385	0.009	2	109.0385	0.000	2	109.1595	2.920	13	109.2215	1.716	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,5,5]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H)2	C[6](C[3,5,5]C[3,5]2C[5,5])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[3,5,5]C[3,5]2C[5,5])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0683	0.079	8	109.0683	0.006	8	109.0683	0.006	8	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH){2|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1000	0.035	2	108.5968	1.585	6	108.5968	1.585	6	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH){2|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3452	1.545	4	108.5968	1.585	6	108.5968	1.585	6	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[4]C[6])(C[6]C[6]CC)(H)2	C[6](C[4]C[4]2O)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[4]C[4]2O)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6140	0.014	2	108.6140	0.000	2	108.8438	0.071	4	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0735	0.032	2	109.0735	0.001	2	108.8438	0.071	4	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CBrH)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CBrH){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4580	0.150	4	109.4580	0.022	4	109.4580	0.022	4	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4673	1.989	8	108.4673	3.956	8	108.5692	3.555	9	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHH){4|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.3850	0.000	1	109.3850	0.000	1	108.5692	3.555	9	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2115	0.013	2	109.2115	0.000	2	109.3318	0.269	53	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.6037	0.010	3	109.3926	0.084	5	109.3318	0.269	53	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0760	0.010	2	109.3926	0.084	5	109.3318	0.269	53	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CC[6a]2)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|Fe<10>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CC[6a]2){3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7535	0.006	2	108.7535	0.000	2	109.3318	0.269	53	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0185	0.195	17	109.0185	0.038	17	109.3318	0.269	53	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4668	0.118	4	109.6818	0.458	18	109.3318	0.269	53	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8062	0.807	12	109.6818	0.458	18	109.3318	0.269	53	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3660	0.017	2	109.6818	0.458	18	109.3318	0.269	53	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CCH){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4215	0.028	2	109.4215	0.001	2	109.3318	0.269	53	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CC[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3088	0.096	4	109.3088	0.009	4	109.3318	0.269	53	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CHO){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9790	0.000	1	109.9790	0.000	1	109.3318	0.269	53	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0240	0.014	2	109.0240	0.000	2	109.3318	0.269	53	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(H)2	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	H(C[6]C[6]2H)	108.4265	0.042	2	108.4265	0.002	2	108.4265	0.002	2	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(H)2	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.9300	0.014	4	108.9300	0.000	4	108.9300	0.000	4	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4840	0.017	2	109.2690	0.062	4	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.0540	0.016	2	109.2690	0.062	4	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5780	0.011	2	109.5780	0.000	2	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6985	0.040	2	109.6985	0.002	2	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5930	0.062	2	109.5930	0.004	2	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4805	0.013	2	109.4588	0.003	6	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CHH){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4480	0.061	4	109.4588	0.003	6	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH){1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0155	0.012	2	109.4696	0.059	33	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4989	0.220	31	109.4696	0.059	33	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.7275	0.036	2	109.7275	0.001	2	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9650	0.013	2	109.3162	0.361	18	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1430	0.040	2	109.3162	0.361	18	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8510	2.005	2	109.3162	0.361	18	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9205	0.013	2	109.3162	0.361	18	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.8355	0.023	2	109.3162	0.361	18	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2440	0.165	4	109.3162	0.361	18	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3215	0.043	4	109.3162	0.361	18	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCH){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5075	0.012	2	109.5075	0.000	2	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4016	0.108	8	109.4016	0.012	8	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.2826	0.112	8	109.2826	0.012	8	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH){5|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.8138	0.263	10	109.8138	0.069	10	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHO){5|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.8120	0.027	4	109.8120	0.001	4	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8559	0.100	7	108.8559	0.010	7	109.4359	0.135	108	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[3]-3:	C[6]-4:	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[3]C[3]2)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[3]C[3]2){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5280	0.033	2	109.4790	0.003	6	109.4790	0.003	6	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[3]-3:	C[6]-4:	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[3]C[3]2)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[3]C[3]2){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4545	0.051	4	109.4790	0.003	6	109.4790	0.003	6	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.6700	0.024	2	109.6700	0.001	2	109.2254	0.060	18	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[5]C[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.2977	0.190	4	109.1699	0.038	16	109.2254	0.060	18	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[5]C[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1513	0.252	4	109.1699	0.038	16	109.2254	0.060	18	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[5]C[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(C[5]C[5]2){2|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0660	0.171	4	109.1699	0.038	16	109.2254	0.060	18	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)2(C[5]C[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	109.1645	0.157	4	109.1699	0.038	16	109.2254	0.060	18	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.8665	0.053	2	109.8665	0.003	2	109.8665	0.003	2	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	108.9130	0.004	2	108.9130	0.000	2	108.9130	0.000	2	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	H(C[6]C[6]2H)	109.4140	0.018	2	109.3727	0.004	4	109.3727	0.004	4	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:3:	4:	C[6]-3:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|In<5>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	H(C[6]C[6]2H)	109.3315	0.059	2	109.3727	0.004	4	109.3727	0.004	4	109.2986	0.352	230	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:1:1:	4:4:4:	4:	C[6]-3:C[6]-4:H-1:H-1:	B[5a]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]B[5a]C[6])(C[6]C[6]HH)(H)2	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0242	0.281	4	109.0242	0.079	4	109.0242	0.079	4	109.0242	0.079	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]N[6]H)(OH)(H)	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]N[6]H)(OH)(H){1|O<2>,6|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HO){1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[6]2O)	107.7100	0.000	1	107.7100	0.000	1	107.7100	0.000	1	109.0433	1.453	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(OH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(OH)(H){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HO){1|O<2>,2|H<1>,7|C<3>}	H(C[6]C[6]2O)	110.0560	0.000	1	110.0560	0.000	1	110.0560	0.000	1	109.0433	1.453	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:3:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2O)	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	109.0433	1.453	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C-4:N[6]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(CC[6a]HH)(N[6]C[6])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(CC[6a]HH)(N[6]C[6])(H){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(O){3|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	106.8540	0.000	1	106.8540	0.000	1	106.8540	0.000	1	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:N-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.1860	0.000	1	107.4160	0.106	2	107.4160	0.106	2	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:N-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.6460	0.000	1	107.4160	0.106	2	107.4160	0.106	2	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:N-2:H-1:	N[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H)	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H){1|B<3>,1|N<2>}	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	106.4260	0.000	1	106.4260	0.000	1	106.4260	0.000	1	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OSi)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2O)	107.8970	0.000	1	107.8970	0.000	1	109.4031	2.783	9	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	112.9100	0.000	1	112.9100	0.000	1	109.4031	2.783	9	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.3420	0.000	1	110.3420	0.000	1	109.4031	2.783	9	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2O)	109.7480	0.000	1	109.7480	0.000	1	109.4031	2.783	9	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.8070	0.000	1	108.8070	0.000	1	109.4031	2.783	9	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.5485	0.268	2	108.5485	0.072	2	109.4031	2.783	9	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.4420	0.000	1	107.4420	0.000	1	109.4031	2.783	9	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(OH)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(OH)(H){1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	110.3850	0.000	1	110.3850	0.000	1	109.4031	2.783	9	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2O)	108.0286	1.449	5	108.0286	2.100	5	108.0286	2.100	5	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.9730	0.000	1	109.9730	0.000	1	108.7023	0.656	20	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.3390	0.000	1	109.3390	0.000	1	108.7023	0.656	20	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HO)(H){1|C<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.8900	0.000	1	108.8900	0.000	1	108.7023	0.656	20	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.2180	0.000	1	109.3200	0.021	3	108.7023	0.656	20	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	109.3710	0.161	2	109.3200	0.021	3	108.7023	0.656	20	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9710	0.000	1	108.5372	0.144	5	108.7023	0.656	20	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.6940	0.000	1	108.5372	0.144	5	108.7023	0.656	20	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	108.5390	0.092	2	108.5372	0.144	5	108.7023	0.656	20	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.9430	0.000	1	108.5372	0.144	5	108.7023	0.656	20	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HO)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	107.6530	0.000	1	107.6530	0.000	1	108.7023	0.656	20	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.0145	0.698	6	108.0145	0.487	6	108.7023	0.656	20	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H){2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2O)	109.8630	0.000	1	109.8630	0.000	1	108.7023	0.656	20	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OH)(H){2|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O)	109.5960	0.000	1	109.5960	0.000	1	108.7023	0.656	20	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(OC)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(OC)(H){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(O){2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(OH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(O){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(SC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(SC[6a])(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2S)	106.5990	0.000	1	106.5990	0.000	1	108.0177	4.095	3	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:1:	4:	C[6]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a])(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2S)	108.7270	2.274	2	108.7270	5.171	2	108.0177	4.095	3	108.5996	1.665	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:2:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CC)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.3580	0.000	1	108.3580	0.000	1	108.3580	0.000	1	108.3580	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:3:	4:	C[6]-3:C[6]-4:N-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2N)	109.0853	0.065	4	109.0853	0.004	4	109.0853	0.004	4	108.6246	0.398	14	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CCH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CCH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.1120	0.000	1	109.1120	0.000	1	109.1120	0.000	1	108.6246	0.398	14	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[5]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[5]C[5,6,6]C[5])(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5,6,6]C[5])(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2O)	107.5660	0.105	2	107.5660	0.011	2	107.5660	0.011	2	108.6246	0.398	14	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.2860	0.000	1	109.2860	0.000	1	109.2860	0.000	1	108.6246	0.398	14	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2O)	108.3375	0.103	2	108.6900	0.378	3	108.6442	0.260	4	108.6246	0.398	14	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2O)	109.3950	0.000	1	108.6900	0.378	3	108.6442	0.260	4	108.6246	0.398	14	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.5070	0.000	1	108.5070	0.000	1	108.6442	0.260	4	108.6246	0.398	14	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:3:	4:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[5,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O)	H(C[6]C[6]2O[6])	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2O[6])	108.1480	0.383	2	108.1480	0.147	2	108.1480	0.147	2	108.6246	0.398	14	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2O)	107.3380	0.000	1	107.5690	0.107	2	107.5690	0.107	2	107.5690	0.107	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	3:4:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.8000	0.000	1	107.5690	0.107	2	107.5690	0.107	2	107.5690	0.107	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:2:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]O[6]O)(CC[6a]CH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(O[6]C[6])(O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(CC[6a]CH)(O[6]C[6])(H){1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	107.0590	0.083	2	107.0590	0.007	2	107.0590	0.007	2	107.0590	0.007	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:2:2:	4:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(CC[6a]CH)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	106.8820	0.000	1	106.8820	0.000	1	107.2575	0.081	8	107.2575	0.081	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:2:2:	4:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	107.2545	0.232	6	107.2545	0.054	6	107.2575	0.081	8	107.2575	0.081	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:2:2:	4:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	107.6510	0.000	1	107.6510	0.000	1	107.2575	0.081	8	107.2575	0.081	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:3:1:	4:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H){1|O<2>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	102.7370	0.000	1	102.7370	0.000	1	102.7370	0.000	1	111.7183	41.425	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:3:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H){2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5670	0.000	1	108.5670	0.000	1	108.7570	0.072	2	111.7183	41.425	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:3:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H){2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.9470	0.000	1	108.9470	0.000	1	108.7570	0.072	2	111.7183	41.425	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:3:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	109.2830	0.000	1	109.2830	0.000	1	109.2200	0.008	2	111.7183	41.425	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:3:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(O){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.1570	0.000	1	109.1570	0.000	1	109.2200	0.008	2	111.7183	41.425	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:3:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:N[6]-3:S-1:	C[6]-4:	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(S)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(S){1|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	107.2380	0.000	1	107.1560	0.197	3	107.1560	0.197	3	111.7183	41.425	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:3:1:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:N[6]-3:S-1:	C[6]-4:	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(S)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|S<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(S){1|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	107.1150	0.619	2	107.1560	0.197	3	107.1560	0.197	3	111.7183	41.425	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:3:1:	4:	C[6]-3:P-4:C[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(PC[6]2Pd)(C[6]C[6])(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]H)(PC[6]2Pd)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	H(C[6]C[6]2P)	120.1153	0.117	4	120.1153	0.014	4	120.1153	0.014	4	111.7183	41.425	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:3:3:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	107.6610	0.000	1	107.6610	0.000	1	107.6610	0.000	1	107.9540	0.172	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:3:3:	4:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	H(C[6]C[6]2O[6])	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	107.9540	0.172	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:3:4:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H){1|C<4>,1|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	106.3710	0.000	1	106.3710	0.000	1	106.3710	0.000	1	106.3710	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O){1|H<1>,7|C<4>}	H(C[6]C[6]2O)	107.9580	0.339	2	107.9580	0.115	2	108.7235	1.043	12	108.7235	1.043	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O){2|H<1>,6|C<4>}	H(C[6]C[6]2O)	109.3713	0.044	4	108.9017	1.411	6	108.7235	1.043	12	108.7235	1.043	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O){3|H<1>,5|C<4>}	H(C[6]C[6]2O)	109.4460	0.000	1	108.9017	1.411	6	108.7235	1.043	12	108.7235	1.043	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	106.4790	0.000	1	108.9017	1.411	6	108.7235	1.043	12	108.7235	1.043	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O){2|H<1>,6|C<4>}	H(C[6]C[6]2O)	107.9950	0.134	2	107.9950	0.018	2	108.7235	1.043	12	108.7235	1.043	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.6830	0.132	2	109.6830	0.017	2	108.7235	1.043	12	108.7235	1.043	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHH){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	109.0343	0.756	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHH){3|C<4>,5|H<1>}	H(C[6]C[6]2O)	108.5250	0.217	3	108.5250	0.047	3	108.9301	0.639	14	109.0343	0.756	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.9468	0.561	5	109.0412	0.305	6	108.9301	0.639	14	109.0343	0.756	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2O)	109.5130	0.000	1	109.0412	0.305	6	108.9301	0.639	14	109.0343	0.756	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CHH){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2O)	106.8650	0.000	1	106.8650	0.000	1	108.9301	0.639	14	109.0343	0.756	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:2:1:	4:4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHH){4|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.5835	0.223	4	109.5835	0.050	4	108.9301	0.639	14	109.0343	0.756	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6,6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6,6a]2)(H){10|C<3>,1|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H){1|O<2>,3|H<1>,8|C<3>}	H(C[6]C[6,6a]C[6]2)	90.5268	3.226	2	90.5268	10.408	2	90.5268	10.408	2	103.8799	69.758	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCO)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.3890	0.000	1	107.3890	0.000	1	108.3310	0.483	6	103.8799	69.758	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.5300	0.000	1	107.5300	0.000	1	108.3310	0.483	6	103.8799	69.758	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H){5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){3|H<1>,7|C<3>}	H(C[6]C[6]2C)	108.7668	0.205	4	108.7668	0.042	4	108.3310	0.483	6	103.8799	69.758	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H){2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]C[6]H)(H){1|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6]2)	107.6615	0.028	2	107.6615	0.001	2	107.6615	0.001	2	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(COO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(COO)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	108.5630	0.000	1	108.5630	0.000	1	108.1287	0.268	4	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.3310	0.000	1	108.2865	0.004	2	108.1287	0.268	4	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.2420	0.000	1	108.2865	0.004	2	108.1287	0.268	4	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(COO)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.3790	0.000	1	107.3790	0.000	1	108.1287	0.268	4	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){3|H<1>,5|C<4>}	H(C[6]C[6]2C)	107.7660	0.021	2	107.7660	0.000	2	107.7743	0.207	6	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]OO)(COO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]C[6]OO)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	H(C[6]C[6]2C)	108.1000	0.000	1	108.1000	0.000	1	107.7743	0.207	6	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.4410	0.000	1	107.6713	0.448	3	107.7743	0.207	6	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H){1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.2865	0.086	2	107.6713	0.448	3	107.7743	0.207	6	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(COO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(COO)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2N)	107.3160	0.000	1	107.3160	0.000	1	107.3160	0.000	1	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NCO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2N)	107.4800	0.000	1	107.4800	0.000	1	108.0667	0.368	3	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHN)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.0280	0.000	1	108.0280	0.000	1	108.0667	0.368	3	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(NHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(NHS)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.6920	0.000	1	108.6920	0.000	1	108.0667	0.368	3	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.8525	0.979	2	106.8525	0.959	2	107.1486	1.181	5	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NHS)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NHS)(H){1|H<1>,1|I<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.0880	0.413	2	108.0880	0.171	2	107.1486	1.181	5	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NCH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2N)	105.8620	0.000	1	105.8620	0.000	1	107.1486	1.181	5	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(NCH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2N)	108.2990	0.170	2	108.2990	0.029	2	108.2990	0.029	2	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:N-3:H-1:	N[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NCH)(H)	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NCH)(H){1|B<3>,1|N<2>}	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	106.0110	0.000	1	106.0110	0.000	1	106.0110	0.000	1	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6]-3:C[6]-4:N[5]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N[5]H)(O)	H(C[6]C[6]2N[5])	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(N[5]C[5]2)(H){1|H<1>,1|I<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N[5]H)(O){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.5460	0.876	5	106.5460	0.768	5	106.5460	0.768	5	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.3670	0.000	1	107.5770	0.088	2	107.3237	0.237	3	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.7870	0.000	1	107.5770	0.088	2	107.3237	0.237	3	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.8170	0.000	1	106.8170	0.000	1	107.3237	0.237	3	107.4806	0.712	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:2:	4:	C[6]-3:C[5]-4:N[6]-3:H-1:	N[6,6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[6,6]N)(C[5]C[5]2H)(N[6]N[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5]N[6]H)(NC[6a])	H(C[6]C[5]C[6]N[6])	C[6](C[6]N[6,6]N)(C[5]C[5]2H)(N[6]N[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5]N[6]H)(NC[6a]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5]C[6]N[6])	108.8330	0.000	1	108.8330	0.000	1	108.8330	0.000	1	108.6733	0.033	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:2:	4:	C[6]-3:C[6]-4:N-3:H-1:	N[6,6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[6,6]N)(C[6]C[6]HH)(NCH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(NC[6a])	H(C[6]C[6]2N)	C[6](C[6]N[6,6]N)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(NC[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2N)	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	108.6733	0.033	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:2:	4:	C[6]-3:C[6]-4:N-3:H-1:	N[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[6,6a]N)(C[6]C[6]HH)(NCH)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NC[6a])	H(C[6]C[6]2N)	C[6](C[6]N[6,6a]N)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NC[6a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	108.6733	0.033	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHN)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.9690	0.000	1	108.9690	0.000	1	108.9690	0.000	1	107.6481	0.605	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.2640	0.000	1	108.2640	0.000	1	107.5484	0.533	5	107.6481	0.605	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	107.2900	0.000	1	107.2900	0.000	1	107.5484	0.533	5	107.6481	0.605	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]N)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCC)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]N){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	106.4040	0.000	1	106.4040	0.000	1	107.5484	0.533	5	107.6481	0.605	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	107.8350	0.000	1	107.8350	0.000	1	107.5484	0.533	5	107.6481	0.605	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]HO)(COO)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]O[6]HO)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]H){2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.9490	0.000	1	107.9490	0.000	1	107.5484	0.533	5	107.6481	0.605	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:3:	4:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6]3)	108.0070	0.000	1	108.0070	0.000	1	108.0070	0.000	1	107.6481	0.605	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:3:	4:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C)	H(C[6]C[6]3)	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]3)	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	107.6481	0.605	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:3:	4:	C[6]-3:N[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6]ReH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6a]Re)(C[6]N[6]2H)(C[6]C[6]H)	H(C[6]C[6]N[6]2)	C[6](C[6]C[6]N[6])(N[6]C[6]ReH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]Re)(C[6]N[6]2H)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]2)	106.8520	0.000	1	106.8520	0.000	1	106.8520	0.000	1	107.6481	0.605	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	3:4:4:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CCC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3){4|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.0320	0.000	1	107.0320	0.000	1	107.0320	0.000	1	107.0320	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:2:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]CH)(C[6]O[6]O)(H)	C[6](C[6]C[5a]C[6]H)(O[6]C[6,6a])(O)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]CH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(O[6]C[6,6a])(O){1|H<1>,5|C<3>}	H(C[6]C[5a]C[6]2)	106.5360	0.000	1	106.5360	0.000	1	106.5360	0.000	1	105.7375	1.275	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:2:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]O[6]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	104.9390	0.000	1	104.9390	0.000	1	104.9390	0.000	1	105.7375	1.275	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:2:2:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-2:S-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6])(SC)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6])(SC){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]2)	109.2290	0.000	1	109.2290	0.000	1	109.2290	0.000	1	109.2290	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(N[6]N[6])(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]N[6])(COO){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.6620	0.437	2	108.6620	0.191	2	108.6620	0.191	2	108.6620	0.191	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:2:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CCHO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CCHO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.7140	0.095	2	107.7140	0.009	2	107.9347	0.151	3	107.9347	0.151	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:2:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CHHO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CHHO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	108.3760	0.000	1	108.3760	0.000	1	107.9347	0.151	3	107.9347	0.151	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]H)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5a]C[6]2)	108.4520	0.000	1	108.4520	0.000	1	106.8894	3.444	5	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	107.8530	0.000	1	107.8530	0.000	1	106.8894	3.444	5	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	104.4770	0.000	1	104.4770	0.000	1	106.8894	3.444	5	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a]C[6]2)	105.3190	0.000	1	105.3190	0.000	1	106.8894	3.444	5	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	108.3460	0.000	1	108.3460	0.000	1	106.8894	3.444	5	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(O)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]2)	106.8810	0.000	2	106.8810	0.000	2	106.8810	0.000	2	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(O)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a]C[6]2)	105.5550	0.000	1	105.5550	0.000	1	105.5550	0.000	1	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]2)	106.4850	0.000	1	106.4850	0.000	1	107.0080	1.119	5	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6]2)	108.3430	0.000	1	108.3430	0.000	1	107.0080	1.119	5	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]2)	105.6770	0.000	1	105.6770	0.000	1	107.0080	1.119	5	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]2)	107.7750	0.000	1	107.7750	0.000	1	107.0080	1.119	5	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]2)	106.7600	0.000	1	106.7600	0.000	1	107.0080	1.119	5	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(O)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|H<1>,1|O<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(O){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]2)	109.0935	0.012	2	109.0935	0.000	2	109.0935	0.000	2	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6]H)(O)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]2)	108.6370	0.000	1	108.6370	0.000	1	108.6370	0.000	1	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]3)	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	108.2660	0.115	2	108.2660	0.013	2	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	109.4450	0.556	2	109.4450	0.309	2	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.5155	0.144	2	106.9253	0.514	3	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H){1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.7450	0.000	1	106.9253	0.514	3	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]S[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]S[6])(H){3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.3375	0.395	2	106.3375	0.156	2	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7600	0.000	1	107.7600	0.000	1	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.0680	1.971	2	107.0990	1.311	4	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.1300	0.209	2	107.0990	1.311	4	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.2780	0.000	1	107.2780	0.000	1	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	98.6722	0.000	1	98.6722	0.000	1	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4493	0.646	3	107.4493	0.417	3	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.5670	0.000	1	107.5670	0.000	1	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6110	0.000	1	107.6005	0.000	2	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]2)	107.5900	0.000	1	107.6005	0.000	2	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6580	0.000	1	107.5223	0.168	3	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.0620	0.000	1	107.5223	0.168	3	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]2)	107.8470	0.000	1	107.5223	0.168	3	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	110.6130	0.000	1	110.6130	0.000	1	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|N<3>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.1710	0.000	1	107.1710	0.000	1	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CS)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CS)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|S<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5440	0.239	2	107.5440	0.057	2	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Br<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.9040	0.000	1	106.9040	0.000	1	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.9540	0.000	1	108.5345	0.674	2	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	109.1150	0.000	1	108.5345	0.674	2	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.2140	0.000	1	106.2140	0.000	1	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.6010	0.000	1	108.3298	0.443	4	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	108.1310	0.000	1	108.3298	0.443	4	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.3880	0.000	1	108.3298	0.443	4	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	109.1990	0.000	1	108.3298	0.443	4	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.9600	0.000	1	107.9600	0.000	1	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.5530	0.000	1	106.5530	0.000	1	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	108.8560	0.000	1	108.2350	0.771	2	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6140	0.000	1	108.2350	0.771	2	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.2270	0.000	1	108.2270	0.000	1	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	108.4160	0.000	1	108.4160	0.000	1	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2600	0.000	1	107.2600	0.000	1	107.4983	2.812	44	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.9600	0.000	1	108.9600	0.000	1	107.7190	3.080	2	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.4780	0.000	1	106.4780	0.000	1	107.7190	3.080	2	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4700	0.000	1	107.4700	0.000	1	106.8575	0.750	2	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.2450	0.000	1	106.2450	0.000	1	106.8575	0.750	2	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]H)(H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|H<1>,6|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]N[5a]C[6]2)	107.5870	0.000	1	107.5870	0.000	1	107.5360	0.005	2	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]N[5a]C[6]2)	107.4850	0.000	1	107.4850	0.000	1	107.5360	0.005	2	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6]N[5a]C[6]H)(N[6]C[6]H)(O)	H(C[6]N[5a]C[6]2)	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	H(C[6]N[5a]C[6]2)	106.9550	0.000	1	106.9550	0.000	1	106.9550	0.000	1	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6a]Si[6])(C[6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]H)(H)	H(C[6]C[6]2N[6])	C[6](N[6]C[6a]Si[6])(C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|Cl<1>,1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6]H)(C[6]N[6]H)(H){1|Si<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2N[6])	107.0320	0.000	1	107.0320	0.000	1	107.0320	0.000	1	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[6]-3:P-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]Si)(PC[6a]2Fe)(C[6]C[6]H)(H)	C[6](C[6]N[6]HP)(C[6]C[6]N)(H)	H(C[6]C[6]N[6]P)	C[6](N[6]C[6]Si)(PC[6a]2Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]HP)(C[6]C[6]N)(H){1|Si<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]P)	106.4250	0.000	1	106.4250	0.000	1	106.4250	0.000	1	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]H)(H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]N[6a]C[6]2)	C[6](N[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]H)(H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[6a]C[6]2)	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	107.4059	2.275	71	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.0160	0.000	1	107.5315	0.531	2	107.7480	0.406	3	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	108.0470	0.000	1	107.5315	0.531	2	107.7480	0.406	3	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OH)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OH){1|C<3>,2|N<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	108.1810	0.000	1	108.1810	0.000	1	107.7480	0.406	3	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6])	H(C[6]C[6,6a]C[5,6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]){1|C<4>,3|O<2>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6])	105.6910	0.000	1	105.6910	0.000	1	105.6910	0.000	1	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5]C[6])	107.9280	0.465	4	107.9280	0.216	4	108.0376	0.358	8	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[5]C[6])	108.3955	0.670	2	108.3955	0.448	2	108.0376	0.358	8	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[5]C[6])	107.1690	0.000	1	107.8990	1.066	2	108.0376	0.358	8	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[5]C[6])	108.6290	0.000	1	107.8990	1.066	2	108.0376	0.358	8	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[5]C[5]2Mn)(N[6]C[6]C)(H)	C[6](C[6]C[5]N[6]H)(C[6a]C[6a]2)(N[6]N[6])	H(C[6]C[5]C[6]N[6])	C[6](C[6]C[6a]N[6])(C[5]C[5]2Mn)(N[6]C[6]C)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6]H)(C[6a]C[6a]2)(N[6]N[6]){1|Mn<8>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5]C[6]N[6])	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]O[6]H)(O[6]C[6])	H(C[6]C[6]3)	C[6](C[6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]O[6]H)(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]3)	105.1600	0.000	1	105.1600	0.000	1	105.1600	0.000	1	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.2300	0.000	1	108.2300	0.000	1	107.8547	0.506	16	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.4770	0.000	1	107.9020	0.542	3	107.8547	0.506	16	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CN){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6145	0.767	2	107.9020	0.542	3	107.8547	0.506	16	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.7765	0.146	2	108.1200	0.126	6	107.8547	0.506	16	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.2918	0.290	4	108.1200	0.126	6	107.8547	0.506	16	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]H)(CC)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]H)(CC){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.4820	0.000	1	107.4820	0.000	1	107.8547	0.506	16	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.5033	0.927	3	107.5033	0.859	3	107.8547	0.506	16	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	H(C[6]C[6a]C[6]2)	107.5140	1.687	2	107.5140	2.846	2	107.8547	0.506	16	107.7586	0.813	30	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[5]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5]C[5]S[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]C)(CCO)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]S[5])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]O[6]C)(CCO){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[5]C[6]2)	108.0330	0.000	1	108.0330	0.000	1	108.0330	0.000	1	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(COO)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.3905	0.037	2	107.3905	0.001	2	107.4323	0.006	3	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.5160	0.000	1	107.5160	0.000	1	107.4323	0.006	3	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]O)2	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]O)2{3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]N[6])	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.5185	0.112	2	106.5185	0.013	2	106.5185	0.013	2	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6]-3:C[6]-4:Si-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SiCC)(H)	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]2Si)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SiCC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2Si)	106.4300	0.000	1	106.4300	0.000	1	106.4300	0.000	1	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6]-3:N[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6]NiC)(N[6]C[6]H)(H)	C[6](C[6]N[6]2H)(N[6]C[6]Ni)(C[6]C[6]H)	H(C[6]C[6]N[6]2)	C[6](C[6]C[6]N[6])(N[6]C[6]NiC)(N[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]N[6]2H)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]2)	118.8480	0.000	1	118.8480	0.000	1	118.8480	0.000	1	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5075	0.026	2	107.5075	0.001	2	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5000	0.000	1	107.5000	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|Cl<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHH){1|C<2>,1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.8270	0.000	1	107.8270	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.4500	0.000	1	107.4500	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.4570	0.000	1	106.4570	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.7640	0.000	1	106.5837	0.025	3	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.4935	0.016	2	106.5837	0.025	3	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CHO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CHO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.5470	0.000	1	107.5470	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.0770	0.000	1	107.0770	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CCO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CCO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.4980	0.000	1	107.4980	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.1410	0.000	1	108.1410	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.1020	0.000	1	107.1020	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.9450	0.000	1	107.5050	0.627	2	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.0650	0.000	1	107.5050	0.627	2	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.1360	0.000	1	107.4865	0.246	2	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.8370	0.000	1	107.4865	0.246	2	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.5260	0.000	1	106.5260	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CC[6a]O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|S<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CC[6a]O){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.9640	0.000	1	107.9640	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(COO){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.0040	0.000	2	108.0040	0.000	2	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.6810	0.000	1	106.6810	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.1360	0.000	1	107.1182	0.377	5	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.0480	0.000	1	107.1182	0.377	5	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2800	0.000	1	107.1182	0.377	5	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.5635	0.006	2	107.1182	0.377	5	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2270	0.000	1	107.2270	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.9190	0.000	1	107.9190	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CHN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CHN){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.1940	0.000	1	107.1940	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7670	0.000	1	107.7670	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(COO){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	111.0120	0.000	1	111.0120	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.3280	0.000	1	107.3890	2.251	2	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.4500	0.000	1	107.3890	2.251	2	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.6020	0.000	1	108.6020	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCH){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.3560	0.000	1	108.3560	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7190	0.000	1	107.7190	0.000	1	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.9294	0.436	5	106.9294	0.190	5	107.4265	0.694	43	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(NOO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.9300	0.000	1	107.9300	0.000	1	107.7405	0.072	2	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|F<1>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5510	0.000	1	107.5510	0.000	1	107.7405	0.072	2	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CHH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CHH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.3630	0.000	2	107.3630	0.000	2	107.3630	0.000	2	107.6153	2.886	57	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6,6a]H)(CH3)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6,6a]H)(CH3){1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]2)	106.9710	0.207	4	106.9710	0.043	4	106.9710	0.043	4	106.9664	1.211	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	104.7350	0.000	1	104.7350	0.000	1	107.0793	2.382	8	106.9664	1.211	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7160	0.000	1	107.7160	0.000	1	107.0793	2.382	8	106.9664	1.211	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	109.8370	0.000	1	109.8370	0.000	1	107.0793	2.382	8	106.9664	1.211	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CH3)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2550	0.000	1	107.2550	0.000	1	107.0793	2.382	8	106.9664	1.211	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]HH){1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2213	0.418	3	107.2213	0.174	3	107.0793	2.382	8	106.9664	1.211	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCCH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	105.4270	0.000	1	105.4270	0.000	1	107.0793	2.382	8	106.9664	1.211	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CCHH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.4060	0.000	1	107.4060	0.000	1	106.8162	0.761	4	106.9664	1.211	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.0690	0.000	2	106.0690	0.000	2	106.8162	0.761	4	106.9664	1.211	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]2)	107.7210	0.000	1	107.7210	0.000	1	106.8162	0.761	4	106.9664	1.211	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:3:4:	4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Si-4:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]Si)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(SiC3)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]Si)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(SiC3){1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5a]C[6]2)	106.6460	0.000	1	106.6460	0.000	1	106.6460	0.000	1	106.9664	1.211	17	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(O)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(O){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]2)	107.0350	0.000	1	107.0350	0.000	1	108.2247	1.067	3	107.2306	0.938	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|N<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	108.8195	0.107	2	108.8195	0.011	2	108.2247	1.067	3	107.2306	0.938	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[3,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CCC)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	107.1500	0.000	1	107.1500	0.000	1	107.1500	0.000	1	107.2306	0.938	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]2)	106.4525	0.254	2	106.4525	0.064	2	107.0191	0.814	11	107.2306	0.938	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.9150	0.000	1	107.9150	0.000	1	107.0191	0.814	11	107.2306	0.938	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.8920	0.489	3	106.8920	0.239	3	107.0191	0.814	11	107.2306	0.938	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.0305	0.200	2	107.0305	0.040	2	107.0191	0.814	11	107.2306	0.938	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.2540	0.000	1	108.0890	1.394	2	107.0191	0.814	11	107.2306	0.938	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.9240	0.000	1	108.0890	1.394	2	107.0191	0.814	11	107.2306	0.938	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)2(O)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)2(O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.4750	0.000	1	105.4750	0.000	1	107.0191	0.814	11	107.2306	0.938	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:1:	4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6]N[5a]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(O){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]N[5a]C[6]2)	106.6550	0.000	1	106.6550	0.000	1	106.6550	0.000	1	107.2306	0.938	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:3:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH){4|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9898	0.261	5	106.9898	0.068	5	106.9898	0.068	5	106.8888	0.778	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:3:	4:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)	H(C[6]C[6]2C)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2){3|C<4>,8|H<1>}	H(C[6]C[6]2C)	107.3970	0.000	1	107.3970	0.000	1	107.3970	0.000	1	106.8888	0.778	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:3:	4:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(C[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C){2|H<1>,3|C<4>,6|C<3>}	H(C[6]C[6]3)	107.7200	0.000	1	107.7200	0.000	1	107.7200	0.000	1	106.8888	0.778	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:3:	4:	C[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(C[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]3)	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	106.8888	0.778	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:3:	4:	C[6]-3:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NCC)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CHH)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CHH){4|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.3470	0.000	1	106.3470	0.000	1	106.3470	0.000	1	106.8888	0.778	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]BH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CCH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]BH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CCH){1|B<4>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6a]C[6]2)	107.1920	0.000	1	107.1920	0.000	1	106.3389	0.983	8	106.8888	0.778	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHN)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHN){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.7940	0.000	1	106.7940	0.000	1	106.3389	0.983	8	106.8888	0.778	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]N)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]N){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	105.3840	1.089	3	105.3840	1.186	3	106.3389	0.983	8	106.8888	0.778	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.8420	0.000	1	106.8420	0.000	1	106.3389	0.983	8	106.8888	0.778	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHH)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.8655	0.165	2	106.8655	0.027	2	106.3389	0.983	8	106.8888	0.778	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	H(C[6]N[6,6]C[6]2)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,4|C<4>,8|H<1>}	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){3|H<1>,6|C<4>}	H(C[6]N[6,6]C[6]2)	108.2660	0.151	2	108.2660	0.023	2	108.2660	0.023	2	106.8888	0.778	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:3:	4:	N[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6]P)	H(C[6]C[6]2N[6])	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6]P){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2N[6])	106.4480	0.000	1	106.4480	0.000	1	106.6460	0.078	2	106.8888	0.778	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:3:1:	4:4:3:	4:	N[6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6]P[6])	H(C[6]C[6]2N[6])	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6]P[6]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2N[6])	106.8440	0.000	1	106.8440	0.000	1	106.6460	0.078	2	106.8888	0.778	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H){1|C<4>,1|S<2>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2C)	106.4430	0.000	1	106.4430	0.000	1	106.4430	0.000	1	108.1886	1.982	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|H<1>,4|C<3>,4|C<4>}	H(C[6]C[6]2C)	108.0390	0.000	1	108.0390	0.000	1	108.0390	0.000	1	108.1886	1.982	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(C[6]C[6]CH){1|C<4>,2|H<1>,7|C<3>}	H(C[6]C[6]2C)	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	108.1886	1.982	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6]2C)	107.4090	2.502	2	107.4090	6.259	2	108.7138	1.230	13	108.1886	1.982	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6]2C)	109.0370	0.501	3	109.0370	0.251	3	108.7138	1.230	13	108.1886	1.982	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6]2C)	109.1293	0.339	3	109.1293	0.115	3	108.7138	1.230	13	108.1886	1.982	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CH3)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CH3)(H){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH){1|O<2>,2|H<1>,7|C<3>}	H(C[6]C[6]2C)	108.6637	0.222	3	108.6637	0.049	3	108.7138	1.230	13	108.1886	1.982	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CH3)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CH3)(H){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH){1|S<2>,2|H<1>,7|C<3>}	H(C[6]C[6]2C)	108.9855	1.812	2	108.9855	3.284	2	108.7138	1.230	13	108.1886	1.982	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:3:4:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,4|H<1>,6|C<3>}	H(C[6]C[6]2C)	105.7980	0.908	2	105.7980	0.824	2	105.7980	0.824	2	108.1886	1.982	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]N[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(O)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]N[6]HH)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.4230	0.000	1	105.4230	0.000	1	106.9130	0.711	5	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1080	0.000	1	107.1080	0.000	1	106.9130	0.711	5	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2800	0.025	2	107.2800	0.001	2	106.9130	0.711	5	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4740	0.000	1	107.4740	0.000	1	106.9130	0.711	5	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]2C)	106.7720	0.000	1	106.7720	0.000	1	106.3723	0.316	3	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.1725	0.626	2	106.1725	0.392	2	106.3723	0.316	3	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	109.1790	0.000	1	109.1790	0.000	1	107.4495	0.689	11	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8372	0.105	5	106.8372	0.011	5	107.4495	0.689	11	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.3573	0.326	3	107.3573	0.106	3	107.4495	0.689	11	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7790	0.000	1	107.7790	0.000	1	107.4495	0.689	11	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H){1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.7290	0.000	1	108.7290	0.000	1	107.4495	0.689	11	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.2387	0.330	4	106.6273	0.640	7	106.6273	0.640	7	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|H<1>,5|C<4>}	H(C[6]C[6]2C)	105.8660	0.055	2	106.6273	0.640	7	106.6273	0.640	7	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){3|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.7040	0.000	1	106.6273	0.640	7	106.6273	0.640	7	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2C)	107.0250	0.000	1	107.0250	0.000	1	106.5642	4.025	21	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.4470	0.000	1	107.4470	0.000	1	106.5642	4.025	21	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.5250	1.024	2	106.5250	1.048	2	106.5642	4.025	21	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	105.8697	1.110	4	105.8697	1.233	4	106.5642	4.025	21	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.0730	0.000	1	107.0730	0.000	1	106.5642	4.025	21	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.4220	0.000	1	108.4220	0.000	1	106.5642	4.025	21	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.7760	0.000	1	107.7760	0.000	1	106.5642	4.025	21	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2C)	107.3700	0.000	1	107.8837	0.209	3	106.5642	4.025	21	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	108.1405	0.152	2	107.8837	0.209	3	106.5642	4.025	21	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[5a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[5a]HH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.9140	0.112	2	107.9140	0.012	2	106.5642	4.025	21	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	103.3049	5.462	2	103.3049	29.832	2	106.5642	4.025	21	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHHP)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHHP)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.7460	0.000	1	107.7460	0.000	1	106.5642	4.025	21	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|Se<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	104.8710	0.365	2	104.8710	0.133	2	106.5642	4.025	21	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(CC[5a]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(CC[5a]HH)(H){1|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6440	0.000	2	107.6440	0.000	2	106.3576	0.924	11	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1250	0.054	2	106.6800	0.268	4	106.3576	0.924	11	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.3000	0.000	1	106.6800	0.268	4	106.3576	0.924	11	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.1700	0.000	1	106.6800	0.268	4	106.3576	0.924	11	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){1|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.7370	0.013	2	105.7353	0.000	3	106.3576	0.924	11	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.7320	0.000	1	105.7353	0.000	3	106.3576	0.924	11	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2C)	104.4760	0.000	1	105.3600	1.563	2	106.3576	0.924	11	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.2440	0.000	1	105.3600	1.563	2	106.3576	0.924	11	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.5355	0.931	2	106.5355	0.867	2	106.5355	0.867	2	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]3)	106.4865	0.237	2	106.3284	0.068	7	106.3284	0.068	7	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]3)	106.2620	0.000	1	106.3284	0.068	7	106.3284	0.068	7	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]3)	106.2660	0.308	4	106.3284	0.068	7	106.3284	0.068	7	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2S)	108.0220	0.000	1	108.0220	0.000	1	107.5627	0.117	4	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:1:	4:	C[6]-3:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2S)	107.4097	0.187	3	107.4097	0.035	3	107.5627	0.117	4	106.7519	1.716	72	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:2:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NS)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NS){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2C)	104.7120	0.000	1	104.7120	0.000	1	104.7120	0.000	1	108.0184	3.058	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:2:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NN)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NN){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.4970	0.000	1	108.4970	0.000	1	109.2926	1.661	5	108.0184	3.058	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:2:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	111.2150	0.000	1	111.2150	0.000	1	109.2926	1.661	5	108.0184	3.058	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:2:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.3610	0.192	2	108.3610	0.037	2	109.2926	1.661	5	108.0184	3.058	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:2:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	110.0290	0.000	1	110.0290	0.000	1	109.2926	1.661	5	108.0184	3.058	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:2:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]N[6])	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]N[6]){3|C<3>,5|H<1>}	H(C[6]C[6]2C)	108.8385	0.135	2	108.8385	0.018	2	108.8385	0.018	2	108.0184	3.058	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:2:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6])	H(C[6]C[6]3)	C[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]3)	108.1335	0.032	2	108.1335	0.001	2	108.1335	0.001	2	108.0184	3.058	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:2:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(O[6]C[6])	H(C[6]C[6]3)	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(O[6]C[6]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	107.3720	0.000	1	106.3733	0.748	3	106.3733	0.748	3	108.0184	3.058	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:2:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(O[6]C[6])	H(C[6]C[6]3)	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(O[6]C[6]){1|S<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	105.8740	0.000	2	106.3733	0.748	3	106.3733	0.748	3	108.0184	3.058	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(CC[5a]O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H){1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(CC[5a]O){2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.9400	0.000	1	107.9400	0.000	1	108.1885	0.062	4	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H){1|N<3>,1|O<1>,1|S<2>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]CH)(CC[6a]O){2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.2140	0.000	1	108.2140	0.000	1	108.1885	0.062	4	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]CH)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]CH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.5210	0.000	1	108.5210	0.000	1	108.1885	0.062	4	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]CH)(CCO)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]CH)(CCO){3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0790	0.000	1	108.0790	0.000	1	108.1885	0.062	4	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.0805	0.098	2	108.0805	0.010	2	108.2107	0.334	13	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[5]CH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.9190	0.000	1	108.9190	0.000	1	108.2107	0.334	13	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.8158	0.341	4	108.8158	0.117	4	108.2107	0.334	13	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]HN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]HN)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.9260	0.000	1	107.9260	0.000	1	108.2107	0.334	13	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.8920	0.000	1	107.8920	0.000	1	108.2107	0.334	13	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CCHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CCHN)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.5075	0.305	2	107.5075	0.093	2	108.2107	0.334	13	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CC[6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CC[6a]CH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.7815	0.128	2	107.7815	0.016	2	108.2107	0.334	13	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.2060	0.000	1	108.2060	0.000	1	107.2776	1.420	10	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.5660	0.000	1	106.5660	0.000	1	107.2776	1.420	10	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	109.3180	0.000	1	109.3180	0.000	1	107.2776	1.420	10	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	107.2000	0.000	1	107.2000	0.000	1	107.2776	1.420	10	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2C)	106.7910	0.000	1	106.7910	0.000	1	107.2776	1.420	10	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCCN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCCN)(H){1|C<4>,2|C<3>,2|S<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	106.4080	0.000	1	106.4080	0.000	1	107.2776	1.420	10	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H){1|S<4>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	105.3750	0.000	1	105.3750	0.000	1	107.2776	1.420	10	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]B)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H){1|B<4>,1|C<4>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]B){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	108.2170	0.000	1	108.2170	0.000	1	107.2776	1.420	10	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CHHN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	108.2800	0.000	1	108.2800	0.000	1	107.2776	1.420	10	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCCS)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCCS)(H){1|C<4>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6]2C)	106.4150	0.000	1	106.4150	0.000	1	107.2776	1.420	10	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:3:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)(CHH)	H(C[6]C[6]3)	C[6](C[6]C[6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)(CHH){2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6]3)	105.0750	0.000	1	105.0750	0.000	1	105.0750	0.000	1	107.7623	1.107	28	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:4:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.4860	0.123	2	107.4860	0.015	2	107.4860	0.015	2	107.1162	0.286	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:4:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3){1|H<1>,5|C<4>}	H(C[6]C[6]2C)	107.2470	0.000	1	107.2470	0.000	1	107.3510	0.097	3	107.1162	0.286	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:4:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.4030	0.421	2	107.4030	0.178	2	107.3510	0.097	3	107.1162	0.286	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:4:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]2C)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(CClHH)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C)(C[6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(CClHH){1|C<3>,2|H<1>,2|O<2>,6|C<4>}	H(C[6]C[6]3)	105.9060	0.000	1	105.9060	0.000	1	105.9060	0.000	1	107.1162	0.286	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:4:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|C<4>,5|H<1>}	H(C[6]C[6]3)	107.0405	0.401	2	107.0383	0.080	3	107.0383	0.080	3	107.1162	0.286	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	3:4:4:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|S<4>,5|H<1>,7|C<4>}	H(C[6]C[6]3)	107.0340	0.000	1	107.0383	0.080	3	107.0383	0.080	3	107.1162	0.286	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:2:2:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:N[6]-2:	C[6]-4:	C[6](C[6]N[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(O[6]C[5,6])(N[6]C[6])	H(C[6]C[6]3)	C[6](C[6]N[6]O[6])(C[6]C[6]HH)2(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(O[6]C[5,6])(N[6]C[6]){4|C<4>,7|H<1>}	H(C[6]C[6]3)	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:3:2:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(O[6]C[6])	H(C[6]C[6]3)	C[6](C[6]C[6]O[6])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(O[6]C[6]){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]3)	107.1380	0.000	1	107.1380	0.000	1	107.1380	0.000	1	107.1380	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:3:3:	4:	C[6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6]N[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H){1|Re<6>,1|C<3>,1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re){1|Fe<10>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5]C[6]2)	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	108.3723	0.840	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:3:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.3390	0.000	1	107.3390	0.000	1	107.3390	0.000	1	108.3723	0.840	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:3:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:N[5]-3:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(N[5]C[5]2)	H(C[6]C[6]2C)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	108.6910	0.000	1	108.6910	0.000	1	108.6910	0.000	1	108.3723	0.840	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O){1|C<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.2710	0.000	1	106.2710	0.000	1	107.1640	1.595	2	107.2820	0.807	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.0570	0.000	1	108.0570	0.000	1	107.1640	1.595	2	107.2820	0.807	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2C)	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	107.2820	0.807	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]CH)(O){2|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.1960	0.673	2	106.1960	0.453	2	107.2728	1.197	5	107.2820	0.807	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(O){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4300	0.000	1	107.4300	0.000	1	107.2728	1.197	5	107.2820	0.807	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]O[6]CH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]O)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.2710	0.000	2	108.2710	0.000	2	107.2728	1.197	5	107.2820	0.807	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:1:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CC[6a]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	107.2820	0.807	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:3:	4:	C[6]-3:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:N[5]-3:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(BC[6a]2C)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2)	H(C[6]C[6]2B)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(BC[6a]2C)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2){3|C<4>,8|H<1>}	H(C[6]C[6]2B)	105.5290	0.000	1	105.5290	0.000	1	105.5290	0.000	1	106.4954	0.586	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(CHH){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2C)	106.8340	0.000	1	106.8340	0.000	1	106.9328	0.143	5	106.4954	0.586	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6050	0.000	1	107.0387	0.241	3	106.9328	0.143	5	106.4954	0.586	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.7555	0.013	2	107.0387	0.241	3	106.9328	0.143	5	106.4954	0.586	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCH){3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.7140	0.000	1	106.7140	0.000	1	106.9328	0.143	5	106.4954	0.586	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHH){3|C<4>,5|H<1>}	H(C[6]C[6]2C)	106.8930	0.000	1	106.8930	0.000	1	107.0070	0.026	2	106.4954	0.586	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1210	0.000	1	107.1210	0.000	1	107.0070	0.026	2	106.4954	0.586	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:3:	4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2C)	106.9950	0.000	1	106.9950	0.000	1	106.9950	0.000	1	106.4954	0.586	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:3:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3,6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]2H)(CHH)	H(C[6]C[6]3)	C[6](C[6]C[3,6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]2H)(CHH){2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6]3)	105.1790	0.000	1	105.1790	0.000	1	105.1790	0.000	1	106.4954	0.586	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:3:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6]3)	106.2460	0.000	1	105.7820	0.431	2	105.7820	0.431	2	106.4954	0.586	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	3:4:4:1:	4:4:3:	4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H){2|O<2>,4|H<1>,6|C<4>}	H(C[6]C[6]3)	105.3180	0.000	1	105.7820	0.431	2	105.7820	0.431	2	106.4954	0.586	12	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[6]-4:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]C)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6,6]C[6]H)(O[6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]C)(H){2|H<1>,4|C<4>}	H(C[6]C[6]2O[6])	106.3310	0.000	1	106.3310	0.000	1	106.8615	0.563	2	106.8615	0.563	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[6]-4:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(O[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]H)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6a]C[6]2)(O[6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]H)(H){6|C<3>}	H(C[6]C[6]2O[6])	107.3920	0.000	1	107.3920	0.000	1	106.8615	0.563	2	106.8615	0.563	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:2:3:1:	4:3:3:	4:	C[5]-4:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6,6a])(C[6]C[6]N)(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]H)(NOO)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]2Fe)(O[6]C[6,6a])(C[6]C[6]N)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]H)(NOO){1|Fe<10>,2|C<3>,2|C<4>}	H(C[6]C[5]C[6]O[6])	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	105.5546	0.729	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:2:3:1:	4:3:3:	4:	C[5]-4:S[6]-2:C[6]-3:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[5]C[5,6a]C[5]2)(S[6]C[6,6a])(C[6]N[6]C)(H)	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH)	H(C[6]C[5]C[6]S[6])	C[6](C[5]C[5,6a]C[5]2)(S[6]C[6,6a])(C[6]N[6]C)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH){1|C<4>,4|C<3>}	H(C[6]C[5]C[6]S[6])	105.3510	0.000	1	105.3510	0.000	1	105.2472	0.081	6	105.5546	0.729	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:2:3:1:	4:3:3:	4:	C[5]-4:S[6]-2:C[6]-3:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[5]C[5,6a]C[5a]C[5])(S[6]C[6,6a])(C[6]N[6]C)(H)	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH)	H(C[6]C[5]C[6]S[6])	C[6](C[5]C[5,6a]C[5a]C[5])(S[6]C[6,6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH){5|C<3>}	H(C[6]C[5]C[6]S[6])	105.2264	0.312	5	105.2264	0.098	5	105.2472	0.081	6	105.5546	0.729	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]O)(H)2	C[6](O[6]Ga[5,5,6,6])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]O)(H)2{1|Ga<6>,1|O<1>,1|O<2>}	C[6](O[6]Ga[5,5,6,6])(C[6]C[5,6]HH)(O){1|C<3>,1|C<4>,5|O<2>}	H(C[6]C[5,6]C[6]H)	109.1580	1.622	2	109.1580	2.631	2	109.1580	2.631	2	108.4547	1.735	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]C[5a]H)(C[6]O[6]O)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]O[6]O)(H)2{1|O<2>,3|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.2110	0.014	2	108.2110	0.000	2	108.4360	1.732	75	108.4547	1.735	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.1055	0.036	2	108.2234	0.012	5	108.4360	1.732	75	108.4547	1.735	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{3|C<4>}	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.3020	0.010	3	108.2234	0.012	5	108.4360	1.732	75	108.4547	1.735	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>}	H(C[6]C[6]2H)	106.5457	1.039	9	106.5457	1.080	9	108.4360	1.732	75	108.4547	1.735	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	107.4054	1.480	5	107.8731	2.099	7	108.4360	1.732	75	108.4547	1.735	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0425	0.022	2	107.8731	2.099	7	108.4360	1.732	75	108.4547	1.735	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.6925	0.316	8	108.6925	0.100	8	108.4360	1.732	75	108.4547	1.735	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]O)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]O)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.0715	0.011	2	109.0715	0.000	2	108.4360	1.732	75	108.4547	1.735	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9889	0.338	19	108.9889	0.114	19	108.4360	1.732	75	108.4547	1.735	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8115	1.639	23	108.8115	2.685	23	108.4360	1.732	75	108.4547	1.735	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	C[6](N[6]N[5a,6])(C[6]C[6]HH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]N[5a,6])(C[6]C[6]HH)(OC){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.4930	0.953	2	108.4930	0.909	2	108.9133	0.538	4	108.9133	0.538	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a])(C[6]C[6]HH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2{2|C<3>}	C[6](N[6]C[6,6a])(C[6]C[6]HH)(OC){2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.3335	0.015	2	109.3335	0.000	2	108.9133	0.538	4	108.9133	0.538	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2{1|S<2>,3|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.0065	0.009	2	109.0107	0.128	9	109.3119	0.133	21	109.1391	0.174	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.9208	0.215	5	109.0107	0.128	9	109.3119	0.133	21	109.1391	0.174	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH){1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6]2H)	109.2395	0.834	2	109.0107	0.128	9	109.3119	0.133	21	109.1391	0.174	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCC){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5217	0.140	8	109.5217	0.020	8	109.3119	0.133	21	109.1391	0.174	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCH){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6945	0.060	2	109.6945	0.004	2	109.3119	0.133	21	109.1391	0.174	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CP[6]C)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(H)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CP[6]C){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.4450	0.031	2	109.4450	0.001	2	109.3119	0.133	21	109.1391	0.174	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	S[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CC[6a]P[6])	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2{2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CC[6a]P[6]){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.6457	0.258	6	108.6457	0.066	6	108.8203	0.152	8	109.1391	0.174	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	S[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CP[6]C)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2{2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CP[6]C){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.3440	0.055	2	109.3440	0.003	2	108.8203	0.152	8	109.1391	0.174	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	2:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	S[6]-2:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5]S[6])(H)2	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5]S[6])(H)2{1|C<4>,3|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8700	0.181	4	108.8700	0.033	4	108.8700	0.033	4	109.1391	0.174	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:2:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6a]N[6])(H)2	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6a]N[6])(H)2{4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.1745	0.008	2	108.1745	0.000	2	108.1745	0.000	2	108.1745	0.000	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H)2{1|C<4>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.8430	0.006	2	108.8430	0.000	2	108.5771	0.761	9	108.5771	0.761	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	107.0910	0.054	2	107.0910	0.003	2	108.5771	0.761	9	108.5771	0.761	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.3500	0.020	2	109.3500	0.000	2	108.5771	0.761	9	108.5771	0.761	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){3|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.6650	0.000	1	108.6650	0.000	1	108.5771	0.761	9	108.5771	0.761	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6]2H)	108.9805	0.042	2	108.9805	0.002	2	108.5771	0.761	9	108.5771	0.761	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]H)	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[3x6]C[6]H)	109.8200	0.020	2	109.8200	0.000	2	109.4647	0.042	18	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[3x6]C[6]H)	109.3924	0.167	12	109.3867	0.024	14	109.4647	0.042	18	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[4x6]C[5,6])(C[6]C[3x6]HH)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[3x6]C[6]H)	109.3525	0.022	2	109.3867	0.024	14	109.4647	0.042	18	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[4x6])(C[6]C[3x6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[4x6])(C[6]C[3x6]HH)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[3x6]C[6]H)	109.6550	0.014	2	109.6550	0.000	2	109.4647	0.042	18	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]C[6a])(C[6]C[3x6]HH)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[3x6]C[6a])(C[6]C[3x6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[3x6]C[6]H)	109.0960	0.014	2	109.0960	0.000	2	109.0960	0.000	2	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,5,6]-4:C[6]-3:Br-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]BrH)(O)	H(C[6]C[5,5,6]C[6]Br)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(Br)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]BrH)(O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,5,6]C[6]Br)	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	108.8905	0.036	2	108.8905	0.001	2	108.8905	0.001	2	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(O)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,5,6]C[6]H)	109.1180	0.025	2	109.1180	0.001	2	109.1180	0.001	2	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8610	0.035	2	108.8610	0.001	2	108.8610	0.001	2	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]N[5a,6]O)(H)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[5,6,6]HH)(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]N[5a,6]O)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[5,6,6]HH)(O){3|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	107.6723	0.156	3	107.6723	0.024	3	107.6723	0.024	3	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-3:C[6]-4:Cl-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]Cl)(Cl)(H)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[5,6]ClH)(Cl)	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]Cl)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[5,6]ClH)(Cl){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]Cl)	113.6870	0.000	1	113.6870	0.000	1	113.6870	0.000	1	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]ClH)(H)	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(Cl)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]ClH)(H){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]Cl)	108.0830	0.000	1	108.0830	0.000	1	108.0830	0.000	1	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6,6]H)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1420	0.021	2	109.1420	0.000	2	111.3393	5.932	6	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]H)(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	112.4380	2.249	4	112.4380	5.058	4	111.3393	5.932	6	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.7450	0.000	1	109.3223	0.135	3	109.1098	0.271	4	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.1110	0.047	2	109.3223	0.135	3	109.1098	0.271	4	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.4720	0.000	1	108.4720	0.000	1	109.1098	0.271	4	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3620	0.038	2	109.3620	0.001	2	109.2285	0.025	4	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(O){3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0950	0.028	2	109.0950	0.001	2	109.2285	0.025	4	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]H)(H)2{2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.5665	0.141	2	108.5665	0.020	2	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.2865	0.006	2	109.2865	0.000	2	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.3137	0.089	8	109.3137	0.008	8	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.9640	0.020	2	108.9640	0.000	2	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	110.2380	1.274	2	110.2380	1.624	2	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0820	0.248	4	109.0348	1.215	6	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9405	2.422	2	109.0348	1.215	6	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.9125	0.319	2	109.6689	0.038	12	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.4968	0.131	4	109.6689	0.038	12	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.7305	0.009	2	109.6689	0.038	12	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.6210	0.016	2	109.6689	0.038	12	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.7560	0.030	2	109.6689	0.038	12	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.4890	0.042	2	109.4890	0.002	2	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.4725	0.042	2	109.1146	0.162	8	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.6685	0.016	2	109.1146	0.162	8	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8155	0.015	2	109.1146	0.162	8	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.5020	0.014	2	109.1146	0.162	8	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Cl)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Cl)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.8785	0.027	4	108.8785	0.001	4	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3545	0.023	2	109.3545	0.001	2	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8385	0.032	2	108.8385	0.001	2	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.6962	0.035	4	109.8681	0.567	8	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.0400	1.115	4	109.8681	0.567	8	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.2075	2.148	4	110.5966	3.323	8	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.9370	0.051	2	110.5966	3.323	8	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	112.0345	1.952	2	110.5966	3.323	8	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H){1|C<4>,1|H<1>,2|C<3>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.1175	0.042	2	109.1175	0.002	2	109.4943	0.821	70	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.4925	0.008	2	109.4925	0.000	2	109.0968	0.102	11	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.3430	0.339	2	109.1346	0.088	5	109.0968	0.102	11	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){7|C<4>}	H(C[6]C[5,6]C[6]H)	108.7520	0.000	1	109.1346	0.088	5	109.0968	0.102	11	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.1175	0.035	2	109.1346	0.088	5	109.0968	0.102	11	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(O){7|C<4>}	H(C[6]C[5,6]C[6]H)	108.8518	0.189	4	108.8518	0.036	4	109.0968	0.102	11	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4553	0.045	4	109.4553	0.002	4	109.0536	0.221	25	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8870	0.014	2	108.8870	0.000	2	109.0536	0.221	25	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6a]O)(H)2{2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6435	0.018	2	108.6435	0.000	2	109.0536	0.221	25	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6a]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.4610	0.008	2	108.4610	0.000	2	109.0536	0.221	25	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.9880	0.008	2	108.9880	0.000	2	109.0536	0.221	25	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2{1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.3710	0.058	2	108.2717	0.031	3	109.0536	0.221	25	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.0730	0.000	1	108.2717	0.031	3	109.0536	0.221	25	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.4797	0.159	8	109.4797	0.025	8	109.0536	0.221	25	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]O)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.9535	0.059	2	108.9535	0.003	2	109.0536	0.221	25	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.4935	0.056	2	109.4935	0.003	2	109.1985	0.944	24	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C[6a])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[6a])(C[6]C[5,6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9295	0.023	2	108.9295	0.001	2	109.1985	0.944	24	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]H)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[5,6]HH)(H){2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.4325	0.141	4	109.4325	0.020	4	109.1985	0.944	24	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.7550	0.030	2	108.7550	0.001	2	109.1985	0.944	24	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[5,6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.7035	2.664	2	110.7035	7.095	2	109.1985	0.944	24	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	107.8770	0.518	4	108.6186	0.823	8	109.1985	0.944	24	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.7325	0.033	2	108.6186	0.823	8	109.1985	0.944	24	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.9880	0.037	2	108.6186	0.823	8	109.1985	0.944	24	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.5803	0.136	4	109.5803	0.019	4	109.1985	0.944	24	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.1290	0.021	2	109.1290	0.000	2	108.8417	0.057	6	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.6980	0.107	4	108.6980	0.012	4	108.8417	0.057	6	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.2200	0.008	2	108.2200	0.000	2	108.2200	0.000	2	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]ClH)(O)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(Cl)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]ClH)(O){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]Cl)	108.1620	0.117	2	108.1620	0.014	2	108.1620	0.014	2	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[4,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[4,6]H)(H)2	C[6](C[4,6]C[4,5]C[4,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[4,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[4,6]C[4,5]C[4,6])(C[6]C[6,6]HH)(H){1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]H)(H)2{2|C<3>,5|C<4>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.8985	1.361	2	109.8985	1.853	2	108.8570	0.274	36	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.4937	0.104	3	108.2884	0.046	7	108.8570	0.274	36	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.1345	0.102	4	108.2884	0.046	7	108.8570	0.274	36	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6167	0.095	4	108.6167	0.009	4	108.8570	0.274	36	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6005	0.022	2	108.6005	0.000	2	108.8570	0.274	36	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	108.5760	0.054	2	108.5760	0.003	2	108.8570	0.274	36	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{7|C<4>}	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.4878	0.098	4	109.4878	0.010	4	108.8570	0.274	36	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8967	0.148	11	108.8812	0.020	13	108.8570	0.274	36	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{7|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	108.7955	0.006	2	108.8812	0.020	13	108.8570	0.274	36	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4055	0.015	2	109.4055	0.000	2	108.8570	0.274	36	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0100	0.000	1	109.0100	0.000	1	108.9665	0.006	11	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9869	0.061	8	108.9622	0.006	10	108.9665	0.006	11	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8635	0.057	2	108.9622	0.006	10	108.9665	0.006	11	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[3,6,6]C[5,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6])(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.4227	0.034	3	109.4227	0.001	3	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9100	0.119	3	108.8836	0.008	5	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8440	0.016	2	108.8836	0.008	5	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6700	0.000	1	109.6700	0.000	1	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.9155	1.539	4	107.9155	2.368	4	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]H)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.2870	0.066	4	109.2870	0.004	4	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|S<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9292	0.065	6	108.9292	0.004	6	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3667	0.182	4	108.9968	0.061	275	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<2>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9260	0.070	4	108.9968	0.061	275	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0420	0.031	2	108.9968	0.061	275	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2165	0.009	2	108.9968	0.061	275	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.6044	0.092	14	108.9968	0.061	275	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2595	0.013	2	108.9968	0.061	275	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0005	0.066	2	108.9968	0.061	275	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5080	0.008	2	108.9968	0.061	275	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8375	0.029	2	108.9968	0.061	275	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|N<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8872	0.072	4	108.9968	0.061	275	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9860	0.024	2	108.9968	0.061	275	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0181	0.234	235	108.9968	0.061	275	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9800	0.281	6	108.9800	0.079	6	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9627	0.060	4	108.8759	0.258	58	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0646	0.232	9	108.8759	0.258	58	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.8305	0.560	45	108.8759	0.258	58	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1205	5.689	2	109.0958	2.778	13	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1716	0.301	7	109.0958	2.778	13	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6755	0.045	2	109.0958	2.778	13	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2260	0.058	2	109.0958	2.778	13	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0517	0.047	3	109.0517	0.002	3	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[6,6]HH)(H){1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9980	0.023	2	108.9980	0.001	2	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7900	0.037	2	109.3437	0.100	11	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.3830	0.000	1	109.3437	0.100	11	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){8|C<4>}	H(C[6]C[6,6]C[6]H)	109.4772	0.186	8	109.3437	0.100	11	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8445	0.062	2	108.6058	0.099	6	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.2040	0.052	2	108.6058	0.099	6	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7690	0.021	2	108.6058	0.099	6	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H){1|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	107.8005	0.043	2	107.8005	0.002	2	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.2485	0.042	2	108.2485	0.002	2	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4327	0.157	4	109.0975	0.125	46	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0856	0.163	16	109.0975	0.125	46	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.3660	0.000	1	109.0975	0.125	46	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.6770	0.534	6	109.0975	0.125	46	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|O<2>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2770	0.199	3	109.0975	0.125	46	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.3185	0.030	2	109.0975	0.125	46	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4450	0.041	2	109.0975	0.125	46	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1332	0.324	12	109.0975	0.125	46	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.5715	1.191	2	109.5715	1.420	2	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|Br<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.3160	1.385	2	109.2623	0.480	49	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3888	0.327	6	109.2623	0.480	49	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7765	0.016	2	109.2623	0.480	49	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0780	0.000	1	109.2623	0.480	49	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6515	0.008	2	109.2623	0.480	49	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9521	0.169	9	109.2623	0.480	49	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.4550	0.039	4	109.2623	0.480	49	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.5635	0.054	4	109.2623	0.480	49	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	110.7242	1.110	4	109.2623	0.480	49	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.0645	0.018	2	109.2623	0.480	49	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.9305	0.040	2	109.2623	0.480	49	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0280	0.102	3	109.2623	0.480	49	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2924	0.162	8	109.2623	0.480	49	109.0139	0.245	498	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.4999	0.229	7	108.6708	0.088	11	108.5240	1.284	46	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9980	0.025	2	108.6708	0.088	11	108.5240	1.284	46	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9420	0.008	2	108.6708	0.088	11	108.5240	1.284	46	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0565	0.032	2	109.0565	0.001	2	108.5240	1.284	46	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	110.1350	0.662	2	108.7495	1.657	8	108.5240	1.284	46	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O){2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	107.4310	0.074	2	108.7495	1.657	8	108.5240	1.284	46	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|C<4>,4|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O){2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7160	1.131	4	108.7495	1.657	8	108.5240	1.284	46	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3853	0.146	7	108.2877	1.925	23	108.5240	1.284	46	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0150	0.000	1	108.2877	1.925	23	108.5240	1.284	46	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.2234	0.171	9	108.2877	1.925	23	108.5240	1.284	46	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	106.9825	2.134	6	108.2877	1.925	23	108.5240	1.284	46	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9990	0.017	2	108.9990	0.000	2	108.5240	1.284	46	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2455	0.019	2	109.2455	0.000	2	109.2455	0.000	2	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7910	0.000	1	109.4558	0.195	31	109.3220	0.196	43	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4874	0.040	8	109.4558	0.195	31	109.3220	0.196	43	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1455	0.331	6	109.4558	0.195	31	109.3220	0.196	43	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.7921	0.184	8	109.4558	0.195	31	109.3220	0.196	43	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	110.0870	0.011	2	109.4558	0.195	31	109.3220	0.196	43	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6515	0.036	2	109.4558	0.195	31	109.3220	0.196	43	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9180	0.033	2	109.4558	0.195	31	109.3220	0.196	43	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4590	0.023	2	109.4558	0.195	31	109.3220	0.196	43	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.0090	0.027	2	108.8713	0.057	3	109.3220	0.196	43	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	108.5960	0.000	1	108.8713	0.057	3	109.3220	0.196	43	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)(H)2{1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8555	0.006	2	108.8555	0.000	2	109.3220	0.196	43	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0554	0.171	7	109.0554	0.029	7	109.3220	0.196	43	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3430	0.016	2	109.3430	0.000	2	109.0707	0.038	10	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C[6a])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6]C[6,6]HH)(H){3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.7910	0.011	2	108.7910	0.000	2	109.0707	0.038	10	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1625	0.035	2	109.1625	0.001	2	109.0707	0.038	10	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]C[6a])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]N[6,6]C[6a])(C[6]C[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0285	0.058	4	109.0285	0.003	4	109.0707	0.038	10	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.7830	0.006	2	107.7830	0.000	2	108.4725	0.634	4	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1620	0.040	2	109.1620	0.002	2	108.4725	0.634	4	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O){2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.4038	0.185	4	108.2353	0.089	6	108.2353	0.089	6	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(O){3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.8985	0.028	2	108.2353	0.089	6	108.2353	0.089	6	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(H)2{3|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3717	0.198	6	109.3717	0.039	6	109.1475	0.200	8	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]N[6,6]O)(H)2	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]N[6,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4750	0.031	2	108.4750	0.001	2	109.1475	0.200	8	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]O)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.8950	0.000	1	107.8950	0.000	1	108.2620	0.101	3	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O){1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.4455	0.005	2	108.4455	0.000	2	108.2620	0.101	3	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-3:C[6]-4:Br-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]Br)(Br)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]BrH)(Br)	H(C[6]C[6]2Br)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]Br)(Br)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]BrH)(Br){2|C<4>,3|H<1>}	H(C[6]C[6]2Br)	108.5140	0.016	2	108.5140	0.000	2	108.5140	0.000	2	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(Cl)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]ClH)(O)	H(C[6]C[6]2Cl)	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(Cl)(H){2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]ClH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2Cl)	107.5260	0.000	1	107.5260	0.000	1	107.5260	0.000	1	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(Cl)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]ClH)(O)	H(C[6]C[6]2Cl)	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(Cl)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]ClH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2Cl)	107.4250	0.000	1	107.4250	0.000	1	107.4250	0.000	1	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-3:C[6]-4:F-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]F)(F)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]FH)(F)	H(C[6]C[6]2F)	C[6](C[6]C[5,6]HH)(C[6]C[6]F)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]FH)(F){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2F)	110.7935	0.844	2	110.7935	0.712	2	110.7935	0.712	2	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.2145	0.030	2	110.2145	0.001	2	109.2481	0.408	10	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1578	0.396	6	109.0065	0.191	8	109.2481	0.408	10	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5525	0.062	2	109.0065	0.191	8	109.2481	0.408	10	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{2|C<3>,2|S<2>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3780	3.637	2	108.3780	13.230	2	108.3780	13.230	2	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(H)2{2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5080	0.040	2	108.5080	0.002	2	108.5080	0.002	2	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[4,6,6]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[4,6,6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0632	0.097	4	109.0632	0.009	4	109.1592	0.475	17	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6]2H)	109.3407	0.409	3	109.3407	0.167	3	109.1592	0.475	17	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	110.7280	0.037	2	110.7280	0.001	2	109.1592	0.475	17	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3305	0.008	2	108.3305	0.000	2	109.1592	0.475	17	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	109.1430	0.028	2	109.1430	0.001	2	109.1592	0.475	17	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4130	0.000	1	108.4130	0.000	1	109.1592	0.475	17	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.8820	0.000	1	108.8720	0.000	3	109.1592	0.475	17	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8670	0.016	2	108.8720	0.000	3	109.1592	0.475	17	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.2655	0.016	2	109.2655	0.000	2	108.9750	0.588	22	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.9630	1.632	2	106.9630	2.663	2	108.9750	0.588	22	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0805	0.093	4	109.0805	0.009	4	108.9750	0.588	22	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3225	0.029	2	109.1338	0.048	4	108.9750	0.588	22	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9450	0.007	2	109.1338	0.048	4	108.9750	0.588	22	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2850	0.045	2	109.0403	0.081	4	108.9750	0.588	22	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7955	0.026	2	109.0403	0.081	4	108.9750	0.588	22	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4920	0.006	2	109.3452	0.029	4	108.9750	0.588	22	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.1985	0.012	2	109.3452	0.029	4	108.9750	0.588	22	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.2975	0.023	2	109.2975	0.001	2	108.9750	0.588	22	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(H)2{2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5950	0.011	2	108.5950	0.000	2	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6a]O)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9393	0.180	13	108.9393	0.032	13	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6a]O)(H)2{6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9789	0.141	8	108.9789	0.020	8	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)2{3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.3300	0.030	2	108.3300	0.001	2	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.3410	1.356	8	109.3212	1.314	11	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	108.8610	0.000	1	109.3212	1.314	11	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.4720	0.007	2	109.3212	1.314	11	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9166	0.250	7	108.9166	0.063	7	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6815	0.006	2	108.6815	0.000	2	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7370	1.336	2	108.7370	1.786	2	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5025	0.227	2	109.5025	0.052	2	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7140	0.010	2	108.7678	0.004	4	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8215	0.040	2	108.7678	0.004	4	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0182	0.281	13	109.0044	0.111	17	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.5065	0.026	2	109.0044	0.111	17	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4125	0.059	2	109.0044	0.111	17	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.1453	0.142	3	109.1453	0.020	3	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.3075	0.959	22	109.4022	1.067	33	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5915	1.194	11	109.4022	1.067	33	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2{4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	109.2873	0.283	8	109.2873	0.080	8	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(H)2{2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.8227	0.156	4	108.8227	0.024	4	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]CC)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CC)(C[6]C[6,6a]O)(H)2{3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.5380	0.027	2	108.5380	0.001	2	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6,6a]O)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6,6a]O)(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2550	0.000	1	109.2550	0.000	1	109.1112	0.510	121	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:Br-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]Br)(H)2	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]Br)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(Br){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9795	0.054	2	108.9795	0.003	2	108.9795	0.003	2	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(Cl){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7400	0.016	2	109.7400	0.000	2	109.5602	0.043	4	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(Cl){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3805	0.006	2	109.3805	0.000	2	109.5602	0.043	4	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3145	0.126	6	109.3145	0.016	6	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[3,5,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,5,6]C)(C[6]C[6]HH)(H){5|C<4>}	H(C[6]C[6]2H)	108.9130	0.010	2	108.9130	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9475	0.005	2	109.9475	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	107.6680	0.000	1	107.6680	0.000	1	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1280	0.000	1	109.1280	0.000	1	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.9090	1.385	2	110.9090	1.917	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,3x6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,3x6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5965	0.009	2	109.5965	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3795	0.175	2	108.3795	0.031	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6020	0.017	2	109.6020	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]BrH)(C[6]C[6]H)(H)2	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]BrH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0580	0.031	2	109.0580	0.001	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[4,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[4,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0660	0.023	4	109.0660	0.001	4	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6615	0.028	2	108.6615	0.001	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H){1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0420	0.041	2	109.0420	0.002	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	109.4052	0.011	4	109.4052	0.000	4	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.4595	0.015	2	109.4595	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5250	0.000	1	108.5250	0.000	1	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.3673	0.041	6	108.3673	0.002	6	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4240	0.077	4	109.1128	0.236	6	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4905	0.005	2	109.1128	0.236	6	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2667	0.126	3	109.2667	0.016	3	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4985	0.049	2	109.4985	0.002	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.9100	0.007	2	108.4976	0.143	5	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){5|C<4>}	H(C[6]C[6]2H)	108.2227	0.047	3	108.4976	0.143	5	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.1500	0.068	2	109.1500	0.005	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){2|C<4>,5|C<3>}	H(C[6]C[6]2H)	108.7590	0.010	2	108.7590	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8820	0.023	2	109.5245	1.023	14	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6316	1.059	12	109.5245	1.023	14	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5965	0.049	2	109.3933	0.959	9	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.4445	2.000	2	109.3933	0.959	9	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8916	0.173	5	109.3933	0.959	9	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.0077	0.185	13	109.0077	0.034	13	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1790	0.087	3	109.1790	0.008	3	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.3960	0.000	1	108.3960	0.000	1	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2590	0.000	1	109.2590	0.000	1	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6130	0.025	2	108.6130	0.001	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3380	0.489	4	109.3380	0.239	4	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4955	0.011	2	109.4955	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2110	0.208	3	109.2110	0.043	3	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4383	0.244	6	109.3073	0.070	10	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2480	0.031	2	109.3073	0.070	10	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9735	0.029	2	109.3073	0.070	10	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]Cl)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3155	0.022	2	109.3155	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6255	0.029	2	109.0648	0.239	36	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3375	0.011	2	109.0648	0.239	36	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2915	0.012	2	109.0648	0.239	36	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2670	0.010	2	109.0648	0.239	36	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6855	0.025	2	109.0648	0.239	36	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1750	0.059	2	109.0648	0.239	36	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1163	0.109	7	109.0648	0.239	36	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.2563	0.060	3	109.0648	0.239	36	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6957	0.381	3	109.0648	0.239	36	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.0965	0.326	2	109.0648	0.239	36	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9852	0.089	5	109.0648	0.239	36	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7295	1.672	2	109.0648	0.239	36	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6605	0.033	2	109.0648	0.239	36	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6620	0.000	1	109.6620	0.000	1	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	109.3892	0.092	6	109.3892	0.008	6	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5a,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.8160	0.016	2	108.8160	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)2	C[6](C[6]N[5a,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)2{1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.2030	0.000	1	109.2030	0.000	1	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0648	0.125	4	109.0648	0.016	4	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0490	0.004	2	108.8628	0.162	6	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0985	0.523	2	108.8628	0.162	6	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){5|C<4>}	H(C[6]C[6]2H)	108.4410	0.048	2	108.8628	0.162	6	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9150	0.014	2	108.9150	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.2490	0.245	2	109.8990	0.397	3	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.1990	0.000	1	109.8990	0.397	3	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|B<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2300	0.000	1	109.4801	0.956	29	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7415	1.094	12	109.4801	0.956	29	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1044	0.606	8	109.4801	0.956	29	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1055	0.021	2	109.4801	0.956	29	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	111.1740	1.030	2	109.4801	0.956	29	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8503	0.348	4	109.4801	0.956	29	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]Si)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]Si)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4100	0.094	4	108.4100	0.009	4	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]C[3,6,6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5922	0.103	5	108.5922	0.011	5	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4430	0.038	2	108.9582	0.490	45	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1620	0.014	2	108.9582	0.490	45	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0750	0.130	4	108.9582	0.490	45	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8378	0.900	26	108.9582	0.490	45	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0750	0.107	11	108.9582	0.490	45	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]C[5])(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1110	0.014	2	109.1110	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8380	0.014	2	109.2972	0.224	30	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6479	0.757	7	109.2972	0.224	30	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2933	0.371	3	109.2972	0.224	30	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3167	0.236	6	109.2972	0.224	30	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9725	0.154	6	109.2972	0.224	30	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5860	0.244	3	109.2972	0.224	30	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1110	0.027	3	109.2972	0.224	30	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9945	0.012	2	108.9945	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.1020	0.040	2	109.1020	0.002	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1652	0.327	6	109.1652	0.107	6	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2504	0.218	5	109.1892	0.721	9	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1128	1.358	4	109.1892	0.721	9	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.1905	0.006	2	108.1905	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.6115	0.036	2	107.6115	0.001	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.2365	0.050	2	109.2365	0.003	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){5|C<4>}	H(C[6]C[6]2H)	109.2837	0.091	4	109.2837	0.008	4	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.1330	0.000	1	109.1330	0.000	1	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.4477	0.151	4	109.4477	0.023	4	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]O[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	112.5625	2.071	2	112.5625	4.290	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0766	0.199	7	109.0766	0.039	7	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[3x6]C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0905	0.106	4	109.0905	0.011	4	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|P<4>,4|H<1>}	H(C[6]C[6]2H)	109.2337	0.184	3	109.2337	0.034	3	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2235	0.019	2	109.2235	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1810	0.013	2	109.1810	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8315	0.077	6	109.0796	0.067	16	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2285	0.208	10	109.0796	0.067	16	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0277	0.045	4	109.0616	0.007	5	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1970	0.000	1	109.0616	0.007	5	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.0355	0.039	2	109.1602	0.050	6	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.9995	0.035	2	109.1602	0.050	6	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4455	0.047	2	109.1602	0.050	6	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1445	0.039	2	109.1445	0.002	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6705	2.044	2	109.6705	4.179	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4640	0.010	2	109.3007	0.036	4	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1375	0.023	2	109.3007	0.036	4	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.3930	0.004	2	109.1864	0.110	20	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2164	0.192	8	109.1864	0.110	20	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0060	0.024	2	109.1864	0.110	20	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1985	0.023	2	109.1864	0.110	20	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9600	0.654	4	109.1864	0.110	20	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4815	0.028	2	109.1864	0.110	20	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0615	0.012	2	109.0615	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0055	0.013	2	109.0055	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[6]2H)	109.1138	0.060	6	109.1138	0.004	6	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	107.3540	2.209	2	107.3540	4.880	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9405	0.081	6	108.9405	0.007	6	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.7605	0.026	2	107.7605	0.001	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4565	0.074	2	109.4565	0.006	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0233	0.559	4	109.0233	0.312	4	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2{3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	110.3520	0.287	4	110.3520	0.083	4	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.9313	0.045	3	109.9313	0.002	3	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.6290	0.016	2	109.6290	0.000	2	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5813	0.039	4	109.5813	0.002	4	109.1648	0.454	451	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,3x6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[4,6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,3x6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[4,6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7022	0.151	4	108.7022	0.023	4	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8765	0.030	2	108.8765	0.001	2	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.2078	0.153	4	108.2078	0.023	4	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3698	0.233	5	109.3698	0.054	5	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.7580	0.000	1	108.7580	0.000	1	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.4085	0.013	2	108.3725	0.002	4	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.3365	0.029	2	108.3725	0.002	4	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.4740	0.010	2	108.4740	0.000	2	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>,2|S<2>}	H(C[6]C[6]2H)	109.4100	0.049	2	109.4100	0.002	2	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.6910	0.258	4	107.6910	0.067	4	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.3808	0.150	4	108.5277	0.065	6	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8215	0.019	2	108.5277	0.065	6	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.1180	0.023	2	108.4659	0.497	20	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9595	0.118	4	108.4659	0.497	20	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.3925	0.019	2	108.4659	0.497	20	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9520	0.008	2	108.4659	0.497	20	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.6510	0.847	2	108.4659	0.497	20	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.5680	0.046	4	108.4659	0.497	20	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7452	0.097	4	108.4659	0.497	20	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HP)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HP)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,1|P<4>}	H(C[6]C[6]2H)	108.7005	0.036	2	108.7005	0.001	2	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9125	0.026	4	108.8031	0.198	14	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.4133	0.831	3	108.8031	0.198	14	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.6263	0.055	3	108.8031	0.198	14	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.1188	0.248	4	108.8031	0.198	14	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2973	0.185	4	109.1456	0.333	26	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.9723	0.024	4	109.1456	0.333	26	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3727	0.316	18	109.1456	0.333	26	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>,2|C<4>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4320	0.006	2	109.4320	0.000	2	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4095	0.046	2	109.0531	1.148	247	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9750	0.014	2	109.0531	1.148	247	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3503	0.265	4	109.0531	1.148	247	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9656	0.297	7	109.0531	1.148	247	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8435	1.185	39	109.0531	1.148	247	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7711	1.011	23	109.0531	1.148	247	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2217	0.708	148	109.0531	1.148	247	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4830	0.021	2	109.0531	1.148	247	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2988	2.760	16	109.0531	1.148	247	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9820	0.025	2	109.0531	1.148	247	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0140	0.006	2	109.0531	1.148	247	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|N<2>,3|C<4>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3543	0.039	3	108.3543	0.001	3	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4522	0.074	4	109.1063	0.291	6	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4145	0.053	2	109.1063	0.291	6	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.2060	0.000	1	109.4814	0.209	7	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.5273	0.483	6	109.4814	0.209	7	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HS)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HS)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|H<1>,1|S<2>,2|C<4>}	H(C[6]C[6]2H)	109.4685	0.029	2	109.4685	0.001	2	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1887	0.125	4	109.1887	0.016	4	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.9225	0.013	2	108.8290	0.089	6	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.7823	0.374	4	108.8290	0.089	6	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.7745	0.253	4	108.7745	0.064	4	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6510	0.253	5	108.7987	0.068	9	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.8750	0.018	2	108.7987	0.068	9	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){2|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.0915	0.005	2	108.7987	0.068	9	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.9450	0.957	2	108.5614	0.668	5	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9723	0.493	3	108.5614	0.668	5	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<4>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	108.9153	0.156	4	108.6342	0.674	15	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3370	0.008	2	108.6342	0.674	15	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9730	0.040	3	108.6342	0.674	15	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8450	0.000	1	108.6342	0.674	15	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	106.7090	0.465	2	108.6342	0.674	15	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.6653	0.133	3	108.6342	0.674	15	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O){3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8890	0.031	2	108.8890	0.001	2	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.2780	0.074	2	108.2780	0.005	2	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|S<2>}	H(C[6]C[6]2H)	109.0340	0.020	2	109.0340	0.000	2	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]N[5,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]N[5,6]C)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.4595	1.456	2	109.4595	2.120	2	108.9555	0.853	414	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[5,6]O)(H)2{1|H<1>,3|C<4>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9447	0.309	6	108.9447	0.096	6	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[4,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[4,5,6,6]C[5,6a])(C[6]C[6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6180	0.000	1	109.6180	0.000	1	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6420	0.000	1	109.7815	0.039	2	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9210	0.000	1	109.7815	0.039	2	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4470	0.278	10	108.4470	0.077	10	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6590	0.007	2	108.6590	0.000	2	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.9325	0.005	2	107.9325	0.000	2	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3320	0.011	2	108.8388	0.116	36	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8098	0.328	34	108.8388	0.116	36	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.3485	0.018	2	108.8522	0.152	6	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1040	0.007	4	108.8522	0.152	6	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4873	0.130	4	108.7283	0.340	10	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6010	0.017	2	108.7283	0.340	10	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2635	0.005	2	108.7283	0.340	10	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.8025	0.013	2	108.7283	0.340	10	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.9205	0.762	4	108.9205	0.580	4	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.8198	1.023	118	107.8198	1.047	118	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]O)(H)2	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]O)(H)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	106.8440	0.021	2	106.8440	0.000	2	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	110.4355	0.011	2	110.4355	0.000	2	108.2193	0.988	201	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:S-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]S)(H)2	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(S)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]S)(H)2{4|C<4>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(S){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.2465	0.132	6	108.2465	0.017	6	108.2465	0.017	6	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.6330	0.030	2	108.5834	0.002	5	108.7067	0.024	10	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2{2|C<3>,2|C<4>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.5503	0.020	3	108.5834	0.002	5	108.7067	0.024	10	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(H)2{1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]2H)	108.8490	0.155	3	108.8490	0.024	3	108.7067	0.024	10	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]O)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]O)(H)2{1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	108.8015	0.008	2	108.8015	0.000	2	108.7067	0.024	10	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6,6]O)(H)2	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6,6]O)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4952	0.056	4	108.4952	0.003	4	108.4416	0.408	14	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(H)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7415	0.045	2	109.7415	0.002	2	108.4416	0.408	14	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]O)(H)2	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]O)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5660	0.025	2	108.5660	0.001	2	108.4416	0.408	14	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.2030	0.006	2	108.2030	0.000	2	108.4416	0.408	14	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]O)(H)2	C[6](N[6,6]C[5a,6,6]C[6,6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]O)(H)2{1|N<2>,2|C<3>}	C[6](N[6,6]C[5a,6,6]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	107.7950	0.170	4	107.7950	0.029	4	108.4416	0.408	14	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]H)(H)2	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7255	0.062	2	109.7255	0.004	2	109.7255	0.004	2	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5560	0.052	2	108.5560	0.003	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.2593	0.065	3	108.1780	0.015	5	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.0560	0.024	2	108.1780	0.015	5	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[4,5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[4,5,6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0690	0.017	2	109.0690	0.000	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[4,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](N[6]C[4,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0665	0.011	2	109.0665	0.000	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2150	0.027	2	108.2150	0.001	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]N[6]O)(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	107.9375	0.016	2	107.9375	0.000	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	107.9760	0.000	1	107.9760	0.000	1	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6395	0.015	2	109.2802	0.172	4	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9210	0.018	2	109.2802	0.172	4	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.2178	0.204	6	109.2178	0.042	6	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	108.5740	0.000	1	108.5740	0.000	1	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.5030	0.217	8	108.5030	0.047	8	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	C[6](N[6]N[5a,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]N[5a,6]C)(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2785	0.282	2	109.2785	0.080	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4900	0.006	2	108.4900	0.000	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	H(C[6]C[6]2H)	108.2390	0.047	2	108.2390	0.002	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[5,6,6]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	C[6](N[6]C[5,6,6]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4620	0.021	2	108.4620	0.000	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8670	0.010	2	107.7472	2.757	10	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9125	0.013	2	107.7472	2.757	10	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.8705	0.572	2	107.7472	2.757	10	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.5430	2.116	4	107.7472	2.757	10	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.1735	0.109	4	109.1735	0.012	4	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.4710	0.830	3	108.4710	0.688	3	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.3725	0.016	2	108.3725	0.000	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1430	0.034	2	109.1430	0.001	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2{5|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.8330	0.049	2	108.8330	0.002	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2{5|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|S<2>,4|C<3>}	H(C[6]C[6]2H)	108.8715	0.008	2	108.8715	0.000	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.5725	0.016	2	108.5725	0.000	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7570	0.000	1	108.7570	0.000	1	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3225	0.069	4	109.2636	0.009	7	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{3|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1850	0.068	3	109.2636	0.009	7	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6998	0.840	34	108.6998	0.705	34	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.3603	0.554	3	108.3603	0.307	3	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6485	0.026	2	108.5337	0.018	4	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.4190	0.021	2	108.5337	0.018	4	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){2|C<4>,4|C<3>}	H(C[6]C[6]2H)	109.8575	0.005	2	109.8575	0.000	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(O){1|Fe<10>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6820	0.011	2	108.6820	0.000	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6]N[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]C[6]N[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1495	0.021	2	109.1495	0.000	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.3625	0.025	2	108.6084	0.138	14	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.4471	0.284	8	108.6084	0.138	14	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	109.0540	0.184	4	108.6084	0.138	14	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2200	0.008	2	109.2200	0.000	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.0475	0.173	2	108.1103	0.031	6	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	108.1418	0.194	4	108.1103	0.031	6	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|N<2>,4|C<3>}	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){1|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8823	0.625	3	108.8823	0.391	3	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]N[6]O)(H)2{4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	H(C[6]C[6]2H)	108.8722	0.119	6	108.8722	0.014	6	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]O)(H)2	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]2H)	108.7290	0.000	1	108.7290	0.000	1	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	H(C[6]C[6]2H)	109.8347	0.206	3	109.8347	0.042	3	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]N[6]O)(H)2{2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	106.3090	2.448	2	106.3090	5.993	2	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|S<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.2580	0.008	2	107.4660	0.261	9	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.5254	0.574	7	107.4660	0.261	9	108.5919	0.692	171	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:S-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]S)(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(S)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]S)(H)2{2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(S){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5403	0.092	4	108.5403	0.008	4	108.5403	0.008	4	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	P[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2{2|C<3>,2|H<1>}	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0649	0.144	7	109.0649	0.021	7	109.0649	0.021	7	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4252	1.045	6	109.4252	1.091	6	109.3059	0.829	8	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6]HS)(C[6]C[6]H)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HS)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9480	0.040	2	108.9480	0.002	2	109.3059	0.829	8	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.4370	0.011	2	108.4370	0.000	2	108.4370	0.000	2	108.9493	0.685	2331	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.2165	0.009	2	109.2165	0.000	2	109.2165	0.000	2	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0950	0.023	2	109.0950	0.001	2	108.8550	0.249	11	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7085	0.019	2	108.7085	0.000	2	108.8550	0.249	11	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3317	0.056	4	108.3317	0.003	4	108.8550	0.249	11	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.4903	0.088	3	109.4903	0.008	3	108.8550	0.249	11	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.3604	0.215	5	109.3604	0.046	5	109.3604	0.046	5	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CN){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6215	0.042	2	108.6215	0.002	2	108.6215	0.002	2	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2395	0.043	2	109.2395	0.002	2	109.4953	0.055	14	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NC[6a])	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NC[6a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3642	0.028	4	109.3642	0.001	4	109.4953	0.055	14	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NN){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4693	0.070	4	109.4693	0.005	4	109.4953	0.055	14	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9820	0.021	2	109.9820	0.000	2	109.4953	0.055	14	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.5785	0.008	2	109.5785	0.000	2	109.4953	0.055	14	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3785	0.405	4	109.3785	0.164	4	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7835	1.133	4	108.7835	1.284	4	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OC){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6760	0.007	2	108.6760	0.000	2	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2{3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.1065	0.019	2	108.1065	0.000	2	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.4336	0.045	5	108.4336	0.002	5	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4480	0.007	2	109.4480	0.000	2	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0285	0.033	2	109.0285	0.001	2	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3335	0.021	2	109.3335	0.000	2	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(OSi)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(OSi){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3245	0.005	2	109.3245	0.000	2	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6953	0.137	3	108.6953	0.019	3	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.8820	0.000	1	108.8820	0.000	1	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2280	0.255	2	109.2280	0.065	2	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OS)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OS){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7430	0.779	2	109.7430	0.607	2	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]P[6])(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|P<4>,3|C<4>}	C[6](C[6]C[6]P[6])(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.4890	0.034	2	108.4890	0.001	2	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	H(C[6]C[6]2H)	108.7170	0.011	2	108.7170	0.000	2	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.6755	0.059	2	108.6755	0.003	2	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]N[5,6]C)(C[6]C[6]HH)(OSi)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]N[5,6]C)(C[6]C[6]HH)(OSi){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.4600	0.877	2	108.4600	0.769	2	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CC)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi){1|C<3>,1|H<1>,1|N<3>,2|C<2>}	H(C[6]C[6]2H)	109.5603	0.069	3	109.5603	0.005	3	108.9301	0.339	44	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-2:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]S)(H)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(SC[6a])	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(SC[6a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.8675	0.018	2	108.8675	0.000	2	108.8675	0.000	2	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]N)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a])	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]N)(H)2{1|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a]){2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.7590	0.038	2	109.7590	0.001	2	109.7590	0.001	2	109.0609	0.293	82	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	B[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]B[6]HH)(C[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]B[6]HH)(C[6]C[6]H){1|O<2>,2|F<1>,5|C<3>}	H(C[6]B[6]C[6]H)	109.5593	0.108	4	109.5593	0.012	4	109.5593	0.012	4	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CCrO)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CCrO){3|C<3>,3|C<4>}	H(C[6]C[4,6]C[6]H)	109.4090	1.155	2	109.4090	1.335	2	109.1062	0.452	5	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(COO)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(COO){3|C<3>,3|C<4>}	H(C[6]C[4,6]C[6]H)	108.7365	0.018	2	108.7365	0.000	2	109.1062	0.452	5	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CSeO)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CSeO){3|C<3>,3|C<4>}	H(C[6]C[4,6]C[6]H)	109.2400	0.000	1	109.2400	0.000	1	109.1062	0.452	5	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[5,6,6]HH)(COO)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2{1|O<2>,2|N<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[5,6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.7020	0.022	5	109.6936	0.001	7	109.6936	0.001	7	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[5,6,6]HH)(COO)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2{2|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[5,6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.6725	0.015	2	109.6936	0.001	7	109.6936	0.001	7	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(CC[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(CC[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.9715	0.026	2	108.9715	0.001	2	108.9715	0.001	2	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)2	C[6](C[5a]C[5a]S[5a])(C[6]C[5,6]HH)(C[6]C[5,6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)2{1|C<3>,1|S<2>,2|C<4>,5|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[5,6]HH)(C[6]C[5,6]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.7475	0.016	2	108.7475	0.000	2	108.7475	0.000	2	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(CCO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(CCO){1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	108.6780	0.018	2	108.6780	0.000	2	110.1976	1.432	16	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCC)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCC){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.4830	1.117	2	110.4830	1.248	2	110.1976	1.432	16	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.5035	0.972	10	110.4032	1.358	12	110.1976	1.432	16	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.9020	2.414	2	110.4032	1.358	12	110.1976	1.432	16	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C[6a])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2){3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	109.8615	2.401	2	109.8615	5.763	2	109.8615	5.763	2	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:S-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]S)(H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(SCO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]S)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(SCO){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.3925	0.008	2	109.3925	0.000	2	109.3925	0.000	2	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[6a]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.8310	0.018	2	109.8310	0.000	2	109.8310	0.000	2	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CCO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CCO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4480	0.007	2	109.4480	0.000	2	109.3010	0.029	4	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CCO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CCO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1540	0.030	2	109.1540	0.001	2	109.3010	0.029	4	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	H(C[6]C[5,6]C[6]H)	108.7530	0.042	2	108.7530	0.002	2	108.4963	0.089	4	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,2|O<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	H(C[6]C[5,6]C[6]H)	108.2395	0.008	2	108.2395	0.000	2	108.4963	0.089	4	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4580	0.103	2	109.4482	0.003	6	109.3756	0.020	20	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.4433	0.045	4	109.4482	0.003	6	109.3756	0.020	20	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3740	0.020	2	109.3445	0.024	14	109.3756	0.020	20	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3350	0.008	2	109.3445	0.024	14	109.3756	0.020	20	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.3405	0.185	10	109.3445	0.024	14	109.3756	0.020	20	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0860	0.014	2	108.9235	0.035	4	108.9235	0.035	4	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7610	0.004	2	108.9235	0.035	4	108.9235	0.035	4	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[5,6]C)(Cl)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]ClH)(COO)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]ClH)(C[6]C[5,6]C)(Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]ClH)(COO){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2Cl)	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.0753	0.597	6	107.8412	0.292	10	108.1874	0.534	14	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.4100	0.013	2	107.8412	0.292	10	108.1874	0.534	14	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.5700	0.031	2	107.8412	0.292	10	108.1874	0.534	14	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(H)2{1|Se<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(CHO){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.2245	0.029	2	109.2245	0.001	2	108.1874	0.534	14	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]C)(H)2	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]C)(H)2{1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CCO){1|S<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.8810	0.018	2	108.8810	0.000	2	108.1874	0.534	14	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|N<2>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2410	0.013	2	109.1868	0.004	4	109.2007	0.003	6	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	109.1325	0.005	2	109.1868	0.004	4	109.2007	0.003	6	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|O<2>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2285	0.023	2	109.2285	0.001	2	109.2007	0.003	6	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.0155	1.119	2	108.0155	1.253	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0858	0.052	4	109.0858	0.003	4	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CHN)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|Fe<10>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CHN){1|Fe<10>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9690	0.000	1	108.9690	0.000	1	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[5,6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4410	0.000	1	109.4410	0.000	1	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6430	0.013	2	109.6430	0.000	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2500	0.004	2	109.2500	0.000	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]OO)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]OO)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CHH){2|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0910	0.000	1	109.0910	0.000	1	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[5a,6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[5a,6]H)(C[6]C[6]HH)(COO){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.7355	0.006	2	108.7355	0.000	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.4165	0.161	4	108.4165	0.026	4	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[5a]H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[5a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	107.8377	0.260	8	107.8377	0.068	8	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CHH){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0820	0.000	1	109.0820	0.000	1	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.1390	0.057	2	110.1390	0.003	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CC[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5255	0.018	2	109.5255	0.000	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<2>,1|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CNO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0820	0.147	3	109.0820	0.021	3	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1338	0.136	4	109.1338	0.019	4	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1185	0.009	2	109.1185	0.000	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCH){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7920	0.089	2	109.7920	0.008	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHO){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9090	0.000	1	108.9090	0.000	1	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2835	0.179	6	109.2474	0.024	9	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1753	0.057	3	109.2474	0.024	9	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7290	0.017	2	109.7290	0.000	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[6,6]Cl)(C[6]C[6]HH)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6,6]Cl)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5695	0.008	2	109.5695	0.000	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.2365	0.025	2	110.1778	0.006	4	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1190	0.065	2	110.1778	0.006	4	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.0440	0.047	2	109.0440	0.002	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.1580	0.391	8	109.1580	0.153	8	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(COO){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9190	0.049	4	108.9190	0.002	4	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]Cl)(C[6]C[6]HH)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2{1|Cl<1>,4|C<3>}	C[6](C[6]C[6,6a]Cl)(C[6]C[6]HH)(CHO){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.2555	1.296	2	109.2555	1.680	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CN[6]C)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CN[6]C){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8435	0.015	2	109.8435	0.000	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCH){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4465	2.507	2	109.4465	6.284	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCN){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1667	0.183	6	109.1667	0.033	6	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2138	0.070	4	109.2138	0.005	4	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3590	0.008	2	109.3020	0.044	23	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2966	0.219	21	109.3020	0.044	23	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3492	0.215	18	109.3492	0.046	18	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]I)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]I){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.2895	0.032	2	109.2895	0.001	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	113.9735	0.275	2	113.9735	0.076	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(CHH){1|H<1>,1|S<4>,5|C<4>}	H(C[6]C[6]2H)	109.6290	0.006	2	109.6290	0.000	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2263	0.214	9	109.2263	0.046	9	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3745	0.493	4	109.3745	0.243	4	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CCH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5394	0.426	8	109.5394	0.182	8	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9150	0.017	2	108.9150	0.000	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|N<3>}	H(C[6]C[6]2H)	109.4855	0.030	2	109.4855	0.001	2	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(COO){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	110.5633	0.408	4	110.5633	0.166	4	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH)(COO)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH)(COO){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0070	0.000	1	109.0070	0.000	1	109.2968	0.598	168	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	108.9060	0.000	1	108.6406	0.039	5	109.0422	0.328	16	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.5743	0.149	4	108.6406	0.039	5	109.0422	0.328	16	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5a]H){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.6015	0.005	2	108.6015	0.000	2	109.0422	0.328	16	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NHH){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.8960	0.012	3	108.8960	0.000	3	109.0422	0.328	16	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]2H)	109.3040	0.008	2	109.3040	0.000	2	109.0422	0.328	16	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC){1|In<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	110.3335	0.078	2	109.7433	0.470	4	109.0422	0.328	16	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC){1|In<5>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.1530	0.099	2	109.7433	0.470	4	109.0422	0.328	16	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.9082	0.133	4	108.9082	0.018	4	109.0774	0.421	56	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.0875	0.025	2	108.9804	0.051	39	109.0774	0.421	56	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.6178	0.120	4	108.9804	0.051	39	109.0774	0.421	56	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1132	0.367	4	108.9804	0.051	39	109.0774	0.421	56	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|S<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9412	0.102	4	108.9804	0.051	39	109.0774	0.421	56	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9621	0.194	17	108.9804	0.051	39	109.0774	0.421	56	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.1090	0.102	6	108.9804	0.051	39	109.0774	0.421	56	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1800	0.021	2	108.9804	0.051	39	109.0774	0.421	56	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	110.1010	2.773	3	110.1010	7.691	3	109.0774	0.421	56	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0195	0.036	2	109.0195	0.001	2	109.0774	0.421	56	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Si)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|Si<4>,1|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Si){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9100	0.074	2	108.9100	0.005	2	109.0774	0.421	56	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6])(H)2{1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4825	0.677	4	109.4825	0.458	4	109.0774	0.421	56	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1865	0.021	2	109.1865	0.000	2	109.0774	0.421	56	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C)(H)2	C[6](N[5,6]C[4,5,6]S[5])(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](N[5,6]C[4,5,6]S[5])(C[6]C[6]HH)(CCC){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6]2H)	109.9565	1.348	2	109.9565	1.818	2	109.2897	0.808	6	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)2	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(CCC){1|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6]2H)	109.4265	0.018	2	109.4265	0.000	2	109.2897	0.808	6	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)2	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(CCH){1|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6]2H)	108.4860	0.027	2	108.4860	0.001	2	109.2897	0.808	6	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]N[6]C)(H)2	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]P[6])	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]P[6]){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.7425	0.140	4	108.7425	0.020	4	108.8210	0.580	10	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]C)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]HH)(CHP)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]C)(H)2{1|Co<4>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]HH)(CHP){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.7220	0.037	2	107.7220	0.001	2	108.8210	0.580	10	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]N[6]C)(H)2	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.9825	0.009	2	109.9825	0.000	2	108.8210	0.580	10	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CHH){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9155	0.008	2	108.9155	0.000	2	108.8210	0.580	10	109.2272	0.627	351	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[4,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)2	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6]2)(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]2)(C[6]C[5,6]HH)(CH3){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5120	0.306	4	109.5120	0.093	4	109.5120	0.093	4	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CCHH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CCHH){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.8220	0.025	2	108.8220	0.001	2	109.2420	0.149	5	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CH3){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5220	0.058	3	109.5220	0.003	3	109.2420	0.149	5	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]C)(H)2	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HH)(CH3){2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.0470	0.049	2	109.0470	0.002	2	109.2245	0.026	6	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.4025	0.033	2	109.4025	0.001	2	109.2245	0.026	6	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3){1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.2240	0.024	2	109.2240	0.001	2	109.2245	0.026	6	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[5,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.0315	0.374	2	108.0315	0.140	2	108.0315	0.140	2	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](CC[5a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](CC[5a]C[6a])(C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	108.7115	0.546	8	108.7115	0.298	8	108.7115	0.298	8	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)2{1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.4060	0.147	3	108.4060	0.022	3	108.8491	0.766	7	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[3x5,6]C[5])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[3x5,6]C[5])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1200	0.007	2	110.1200	0.000	2	108.8491	0.766	7	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[5,6]C)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.2430	0.017	2	108.2430	0.000	2	108.8491	0.766	7	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3603	0.079	3	108.6939	0.066	9	108.6939	0.066	9	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8607	0.061	6	108.6939	0.066	9	108.6939	0.066	9	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CHHO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6100	0.013	2	109.6100	0.000	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0035	0.188	6	109.0035	0.035	6	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.8650	0.000	1	108.8650	0.000	1	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CHHO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.9115	0.008	2	108.9115	0.000	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6895	0.013	2	108.8885	0.053	4	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0875	0.013	2	108.8885	0.053	4	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.6748	0.177	12	108.6748	0.031	12	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2240	0.000	1	108.2240	0.000	1	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0870	0.059	2	109.0870	0.004	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9570	0.000	1	108.9570	0.000	1	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7085	0.022	2	108.7085	0.000	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8708	0.081	4	108.8708	0.007	4	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2040	0.021	2	109.2040	0.000	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9155	0.030	2	108.9155	0.001	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5380	0.006	2	108.5380	0.000	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9450	0.055	2	108.9450	0.003	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6554	0.131	8	108.6554	0.017	8	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1765	0.022	2	109.4163	0.036	6	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5362	0.048	4	109.4163	0.036	6	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CC[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CC[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9040	0.047	2	108.9040	0.002	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.8155	0.178	12	108.7209	0.258	30	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2470	1.026	6	108.7209	0.258	30	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7827	0.062	4	108.7209	0.258	30	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0820	0.040	2	108.7209	0.258	30	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8442	0.077	6	108.7209	0.258	30	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHHO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3990	0.021	2	109.3990	0.000	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5750	0.007	2	108.5750	0.000	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC3){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4560	0.000	1	109.4560	0.000	1	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CF3){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.5330	0.074	2	109.5330	0.005	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(CCCH){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3580	0.000	1	109.3580	0.000	1	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1140	0.018	2	109.1140	0.000	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCCH){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.7860	0.011	2	108.7860	0.000	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.0935	0.045	2	109.0935	0.002	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[6a]HO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[6a]HO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.0190	0.066	2	109.0190	0.004	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7200	0.014	2	108.8053	0.010	4	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8905	0.019	2	108.8053	0.010	4	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6810	0.023	2	109.6810	0.001	2	108.8907	0.159	113	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.3485	0.028	2	109.3485	0.001	2	110.3825	2.796	8	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)2	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]2H)	110.7272	1.828	6	110.7272	3.343	6	110.3825	2.796	8	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]P)(H)2{3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.7515	0.015	2	109.7515	0.000	2	109.7515	0.000	2	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SCOO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SCOO){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4485	0.019	2	109.4485	0.000	2	109.4159	0.105	8	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7565	0.026	2	109.7565	0.001	2	109.4159	0.105	8	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.9295	0.009	2	108.9295	0.000	2	109.4159	0.105	8	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.5290	0.031	2	109.5290	0.001	2	109.4159	0.105	8	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(H)2	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(H)2{1|Si<5>,2|N<2>}	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.9123	0.646	6	108.9123	0.418	6	108.9123	0.418	6	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]N[6]C)(H)2	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]N[6]C)(H)2{1|In<4>,1|C<4>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(CH3){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6]2H)	108.5225	0.015	2	108.5225	0.000	2	108.5225	0.000	2	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	3:4:4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](P[6]C[6,6]C[6a]2)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]C)(C[6]P[6]HH)(CH3)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6,6]C[6a]2)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]C[6,6]C)(C[6]P[6]HH)(CH3){1|C<4>,3|C<3>}	H(C[6]C[6]P[6]H)	110.9735	0.083	2	110.9735	0.007	2	110.9735	0.007	2	109.0174	0.448	183	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[3x6]HH)(O[6]C[3x6])(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(O[6]C[3x6])(O){2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.7680	0.085	2	108.7680	0.007	2	108.2493	0.130	9	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]O[6]O)(H)2	C[6](C[6]C[3x6]HH)(O[6]C[6,6])(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]O[6]O)(H)2{4|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(O[6]C[6,6])(O){5|C<4>}	H(C[6]C[3x6]C[6]H)	107.9325	0.065	4	107.9325	0.004	4	108.2493	0.130	9	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]O[6]O)(H)2	C[6](C[6]C[3x6]HH)(O[6]C[6])(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]O[6]O)(H)2{1|C<3>,5|C<4>}	C[6](C[6]C[3x6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[3x6]C[6]H)	108.3260	0.177	3	108.3260	0.031	3	108.2493	0.130	9	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]O[6]O)(H)2	C[6](C[6]C[4,6]HH)(O[6]C[6,6])(O)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]O[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]H)	109.6178	0.125	4	109.6178	0.016	4	109.6178	0.016	4	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]O[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(O[6]C[5,3x6])(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]O[6]O)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]HH)(O[6]C[5,3x6])(O){1|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	106.5160	0.600	2	106.5160	0.360	2	107.5453	0.754	6	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(O[6]C[6,6])(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]HH)(O[6]C[6,6])(O){1|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	107.8210	0.007	2	107.8210	0.000	2	107.5453	0.754	6	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]O[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]O[6]O)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.2990	0.034	2	108.2990	0.001	2	107.5453	0.754	6	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]O[6]O)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.7343	0.117	4	109.7343	0.014	4	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5820	0.028	2	109.5820	0.001	2	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.7785	0.035	2	106.8290	5.337	4	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	104.8795	0.899	2	106.8290	5.337	4	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3x5]C)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6,6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[3x5]C)(C[6]O[6]O)(H)2{2|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6,6])(O){5|C<4>}	H(C[6]C[5,6]C[6]H)	108.0175	0.028	2	108.0175	0.001	2	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5]C)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6,6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,5]C)(C[6]O[6]O)(H)2{2|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6,6])(O){5|C<4>}	H(C[6]C[5,6]C[6]H)	107.7855	0.045	2	107.7855	0.002	2	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2{4|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9603	0.057	6	109.9603	0.003	6	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0752	0.335	4	108.6757	1.229	10	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4380	0.016	2	108.6757	1.229	10	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1505	0.021	2	108.6757	1.229	10	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	106.6395	0.424	2	108.6757	1.229	10	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	108.3125	1.544	2	108.3125	2.383	2	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	107.7215	0.163	2	107.7215	0.027	2	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8015	0.029	2	109.1443	0.353	3	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2{4|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.8300	0.000	1	109.1443	0.353	3	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]2)(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]2)(C[6]O[6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(O){1|H<1>,2|C<4>,2|S<2>}	H(C[6]C[5,6]C[6]H)	107.9065	0.053	2	107.9065	0.003	2	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.1300	0.018	2	109.1300	0.000	2	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6,6a])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(O[6]C[6,6a])(O){1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.6305	0.005	2	109.6305	0.000	2	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]O[6]O)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4680	0.000	1	109.4680	0.000	1	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]N[5]O[5]O[6])(C[6]O[6]O)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5]O[5]O[6])(C[6]O[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(O){1|N<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.0320	0.031	3	108.0320	0.001	3	108.7221	1.528	47	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2204	0.301	5	108.2204	0.091	5	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[5,6]C)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[5,6]C)(C[6]O[6]O)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.8650	0.016	2	109.8650	0.000	2	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(O){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2480	0.010	2	108.2480	0.000	2	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4517	0.066	6	108.0943	0.224	12	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.2420	0.071	2	108.0943	0.224	12	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.9843	0.239	4	108.0943	0.224	12	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7390	0.014	2	108.7390	0.000	2	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	107.9230	0.000	1	107.9230	0.000	1	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5892	0.207	4	108.2643	0.091	11	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2{1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.0406	0.149	5	108.2643	0.091	11	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1735	0.056	2	108.2643	0.091	11	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.4680	0.020	2	108.4695	0.000	4	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2{1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.4710	0.030	2	108.4695	0.000	4	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2340	0.000	1	108.0930	0.017	3	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{6|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.0225	0.063	2	108.0930	0.017	3	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7600	0.027	2	108.3575	1.776	12	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.0335	0.015	2	108.3575	1.776	12	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.6080	0.008	2	108.3575	1.776	12	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.0790	0.037	2	108.3575	1.776	12	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9380	4.096	2	108.3575	1.776	12	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7265	0.028	2	108.3575	1.776	12	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	106.7090	1.401	2	106.7090	1.964	2	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1429	0.809	14	108.1429	0.655	14	108.2376	0.655	70	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]N[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H)2{1|Fe<10>,1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]N[6])(H){1|Re<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.8650	0.007	2	109.8650	0.000	2	109.7798	0.016	6	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]N[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(N[6]N[6])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8560	0.018	2	109.8560	0.000	2	109.7798	0.016	6	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]O[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(N[6]O[6])(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6185	0.018	2	109.6185	0.000	2	109.7798	0.016	6	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8123	0.084	4	108.8123	0.007	4	108.8123	0.007	4	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]H)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6577	0.064	4	109.6577	0.004	4	109.6577	0.004	4	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]O[6]O)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.8990	0.011	2	109.8990	0.000	2	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7250	0.000	1	109.7250	0.000	1	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.9640	0.038	2	107.9640	0.001	2	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.0620	0.000	1	109.0543	0.762	3	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5505	0.022	2	109.0543	0.762	3	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.4635	0.012	2	109.4635	0.000	2	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3480	0.006	2	109.3480	0.000	2	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.0640	0.030	2	109.2059	0.127	8	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.2532	0.409	6	109.2059	0.127	8	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[3x6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[3x6])(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7875	0.015	2	108.7875	0.000	2	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.7610	0.010	2	107.9328	0.016	10	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.1030	0.011	2	107.9328	0.016	10	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.9333	0.076	6	107.9328	0.016	10	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.3145	0.016	2	108.4420	1.230	4	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5695	1.904	2	108.4420	1.230	4	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.9675	0.029	2	107.9675	0.001	2	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.0470	0.034	2	108.7995	0.082	4	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.5520	0.018	2	108.7995	0.082	4	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.2283	0.114	4	108.2283	0.013	4	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	109.2670	0.234	3	109.2670	0.055	3	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.8180	1.884	2	108.5750	0.900	6	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.4535	0.507	4	108.5750	0.900	6	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.4358	0.069	6	108.4358	0.005	6	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.4967	0.692	3	108.3616	0.466	28	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4120	0.020	2	108.3616	0.466	28	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.7720	0.145	4	108.3616	0.466	28	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9620	0.135	4	108.3616	0.466	28	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.8430	0.021	2	108.3616	0.466	28	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.8255	0.046	2	108.3616	0.466	28	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.0177	0.183	3	108.3616	0.466	28	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.3350	0.523	4	108.3616	0.466	28	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7930	0.008	2	108.3616	0.466	28	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.7800	0.008	2	108.3616	0.466	28	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]O[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(O[6]O[6])(O){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0780	0.000	1	110.0780	0.000	1	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2445	0.006	2	108.7185	0.370	4	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1925	0.066	2	108.7185	0.370	4	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.0700	0.000	2	108.1907	0.006	12	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2148	0.058	10	108.1907	0.006	12	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	108.8508	0.499	4	108.8508	0.249	4	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<2>,1|C<4>,2|C<3>}	H(C[6]C[6]2H)	108.9040	0.000	1	108.9040	0.000	1	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6050	0.014	2	108.6533	3.536	10	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	107.8560	4.934	2	108.6533	3.536	10	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7947	1.352	4	108.6533	3.536	10	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{4|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2160	0.034	2	108.6533	3.536	10	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	106.9800	1.895	4	106.9800	3.590	4	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]O)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(O){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.9935	1.619	2	109.9935	2.620	2	108.5400	0.875	127	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S[6]-2:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]S[6]O)(H)2	C[6](C[6]C[6]HH)(S[6]C[5,6])(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]S[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.4980	0.014	2	107.4980	0.000	2	107.4980	0.000	2	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:N-1:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]O[6]N)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(N)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CC)(C[6]O[6]N)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(N){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.2800	0.072	2	108.2800	0.005	2	108.2800	0.005	2	108.5169	0.953	281	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:O-2:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(OC)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7405	0.011	2	109.7405	0.000	2	109.7405	0.000	2	109.4410	0.269	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(OB)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(OB){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8420	0.000	1	108.8420	0.000	1	108.8420	0.000	1	109.4410	0.269	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2	C[6](C[6]C[6,6]HH)(N[6]O[6])(CNO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(N[6]O[6])(CNO){1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	110.0750	0.066	2	110.0750	0.004	2	109.7805	0.117	4	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2	C[6](C[6]C[6,6]HH)(N[6]O[6])(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]O[6])(COO){1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.4860	0.033	2	109.4860	0.001	2	109.7805	0.117	4	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H)2{4|C<3>}	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC){1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.7555	0.026	2	109.7555	0.001	2	109.7555	0.001	2	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5740	1.615	4	109.5740	2.610	4	109.3084	1.303	10	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]N[6])(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(N[6]N[6])(CCH){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2205	0.354	4	109.2205	0.126	4	109.3084	1.303	10	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]N[6])(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]HH)(N[6]N[6])(COO){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	108.9530	1.720	2	108.9530	2.957	2	109.3084	1.303	10	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6])(CHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.8525	0.098	4	109.8525	0.010	4	109.3750	0.219	25	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCC){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.6377	0.064	3	108.7097	0.023	4	109.3750	0.219	25	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCC){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.9260	0.000	1	108.7097	0.023	4	109.3750	0.219	25	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]C)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.5920	0.034	2	109.5920	0.001	2	109.3750	0.219	25	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.8915	0.362	4	109.8915	0.131	4	109.3750	0.219	25	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCC){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.8895	0.060	2	108.8895	0.004	2	109.3750	0.219	25	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3615	0.028	2	109.3615	0.001	2	109.3750	0.219	25	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4305	0.074	4	109.4305	0.005	4	109.3750	0.219	25	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCC){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7840	0.000	1	108.7840	0.000	1	109.3750	0.219	25	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2{1|C<2>,3|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CCH){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1845	0.023	2	109.1845	0.001	2	109.3750	0.219	25	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S[6]-2:C-3:	C[6]-4:	C[6](C[6]C[5,6]C[6a]O)(C[6]S[6]C)(H)2	C[6](C[6]C[6]HH)(S[6]C[5,6])(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]O)(C[6]S[6]C)(H)2{4|C<3>}	C[6](C[6]C[6]HH)(S[6]C[5,6])(CCH){1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	107.9250	0.491	5	107.9250	0.241	5	108.4427	0.942	7	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]S[6]C)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(CHI)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]S[6]C)(H)2{4|C<3>}	C[6](C[6]C[6]HH)(S[6]C[6])(CHI){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]2H)	109.7370	0.010	2	109.7370	0.000	2	108.4427	0.942	7	109.2748	0.630	48	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]N[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[5,6])(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]N[6]C)(H)2{2|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[5,6])(CH3){1|N<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.5620	0.000	1	109.5620	0.000	1	109.5620	0.000	1	109.2464	3.883	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(CC[5]CH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6])(CC[5]CH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8290	0.034	2	108.8290	0.001	2	109.2185	0.203	4	109.2464	3.883	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]N[6])(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(N[6]N[6])(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6080	0.038	2	109.6080	0.001	2	109.2185	0.203	4	109.2464	3.883	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]C)(H)2{1|C<4>}	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	110.1880	5.138	2	110.1880	26.397	2	110.1880	26.397	2	109.2464	3.883	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:2:4:	4:	Si[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](Si[6,6]C[6]N[6]2)(C[6]N[6]C)(H)2	C[6](C[6]Si[6,6]HH)(N[6]N[6])(CH3)	H(C[6]Si[6,6]C[6]H)	C[6](Si[6,6]C[6]N[6]2)(C[6]N[6]C)(H)2{1|N<3>,2|C<4>,4|C<3>}	C[6](C[6]Si[6,6]HH)(N[6]N[6])(CH3){1|C<4>,1|H<1>,2|N<3>}	H(C[6]Si[6,6]C[6]H)	108.2030	0.037	2	108.2030	0.001	2	108.2030	0.001	2	109.2464	3.883	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	B[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6](C[6]B[6,6]HH)(C[6]C[6]H)(H)	H(C[6]B[6,6]C[6]H)	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]B[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]B[6,6]C[6]H)	108.7472	0.200	8	108.7472	0.040	8	108.7472	0.040	8	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	B[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]C)(H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2{2|C<4>,6|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]C)(H){1|P<4>,2|C<3>,2|H<1>}	H(C[6]B[6]C[6]H)	108.7440	0.033	3	107.7232	1.954	5	107.7232	1.954	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	B[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]C)(H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2{4|C<3>,4|C<4>}	C[6](C[6]B[6]HH)(C[6]C[6]C)(H){1|P<4>,2|C<3>,2|H<1>}	H(C[6]B[6]C[6]H)	106.1920	0.017	2	107.7232	1.954	5	107.7232	1.954	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,5,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]H)(H)2	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[3,5,5,6,6]C[6]H)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]H)(H)2{1|Sn<4>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[3,5,5,6,6]C[6]H)	109.5520	0.036	4	109.5520	0.001	4	109.5520	0.001	4	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(H)2	C[6](C[6]C[3,5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[3,5,6,6]C[6]H)	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3,5,6,6]HH)(C[6]C[6]H)(H){1|O<1>,3|C<4>}	H(C[6]C[3,5,6,6]C[6]H)	108.9145	0.009	2	108.9145	0.000	2	108.9145	0.000	2	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5,5,6]C[3,5]N[5])(C[6]C[6]H)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[5,6]H)(H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5,5,6]C[3,5]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[3,5,6]HH)(C[6]C[5,6]H)(H){1|H<1>,2|C<4>,2|N<3>}	H(C[6]C[3,5,6]C[6]H)	109.1675	0.029	2	109.1675	0.001	2	109.0960	0.005	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,5,6]C[6]H)	109.0525	0.028	2	109.0483	0.000	3	109.0960	0.005	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,5,6]C[6]H)	109.0400	0.000	1	109.0483	0.000	3	109.0960	0.005	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]H)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	108.6795	0.035	4	108.6795	0.001	4	109.9061	3.156	8	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6,6]C[6]H)	111.1328	1.830	4	111.1328	3.350	4	109.9061	3.156	8	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]O)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	H(C[6]C[3,6,6]C[6]H)	105.8780	3.660	2	105.8780	13.395	2	105.8780	13.395	2	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[5,6]H)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]H)(H){1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	108.3640	5.701	4	108.3640	32.503	4	108.7878	3.754	36	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,5]C[3,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5]C[3,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	109.0324	1.211	8	109.0324	1.466	8	108.7878	3.754	36	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6,6]H)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]H)(H){1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	108.3945	0.351	2	108.3945	0.124	2	108.7878	3.754	36	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(H)2{2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	108.2755	0.047	2	108.2755	0.002	2	108.7878	3.754	36	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.5185	0.005	2	108.5185	0.000	2	108.7878	3.754	36	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.6123	2.221	4	108.6123	4.931	4	108.7878	3.754	36	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.5385	0.076	4	108.5385	0.006	4	108.7878	3.754	36	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.7875	0.037	2	108.7875	0.001	2	108.7878	3.754	36	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.7730	0.008	2	108.7730	0.000	2	108.7878	3.754	36	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]H)	109.8540	1.772	2	109.8540	3.140	2	108.7878	3.754	36	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.2090	0.069	4	109.2090	0.005	4	108.7878	3.754	36	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(O)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	108.3328	0.121	4	108.3328	0.015	4	108.6685	0.138	8	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(O)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.0775	0.012	2	109.0042	0.007	4	108.6685	0.138	8	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(O)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.9310	0.020	2	109.0042	0.007	4	108.6685	0.138	8	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]O)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]O)(O)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]O)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	107.5165	0.019	2	107.5165	0.000	2	107.9898	0.299	4	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]O)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(O)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.4630	0.013	2	108.4630	0.000	2	107.9898	0.299	4	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]H)(H)2	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[3x5,6,6]C[6]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x5,6,6]C[6]H)	109.1265	0.013	2	109.1265	0.000	2	109.1220	0.000	4	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]H)(H)2	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[3x5,6,6]C[6]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x5,6,6]C[6]H)	109.1175	0.008	2	109.1175	0.000	2	109.1220	0.000	4	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,3|H<1>,6|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.3970	0.041	4	108.3970	0.002	4	109.8207	11.299	19	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[3x6]Br)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{1|Br<1>,2|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[3x6]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3x6]C[6]H)	109.3997	0.054	6	109.3997	0.003	6	109.8207	11.299	19	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	118.2750	6.275	2	118.2750	39.374	2	109.8207	11.299	19	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[3x6]C)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[6,6]C)(C[6]C[6]H)(H)2{1|O<1>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[3x6]C)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.9505	0.125	2	108.9505	0.016	2	109.8207	11.299	19	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.6517	0.051	3	108.6517	0.003	3	109.8207	11.299	19	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.1005	0.562	2	108.1005	0.316	2	109.8207	11.299	19	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[3x6]C[6]H)	108.3555	0.035	2	108.3555	0.001	2	108.9303	0.130	27	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O){2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.2785	0.033	2	109.2785	0.001	2	108.9303	0.130	27	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[3x6]C[6]H)	109.3795	0.168	2	109.3795	0.028	2	108.9303	0.130	27	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	109.1755	0.040	2	109.1755	0.002	2	108.9303	0.130	27	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2{1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[3x6]C[6]H)	109.2515	0.032	2	109.2515	0.001	2	108.9303	0.130	27	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.2185	0.012	2	108.2185	0.000	2	108.9303	0.130	27	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[3x6]C[6]H)	108.9199	0.222	15	108.9199	0.049	15	108.9303	0.130	27	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[4,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[4,5,6,6]C[6]H)	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(O){1|O<2>,3|C<4>}	H(C[6]C[4,5,6,6]C[6]H)	107.8470	0.000	1	107.8470	0.000	1	107.8470	0.000	1	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6]C[6]H)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[4,6]C[6]H)	109.6660	0.006	2	109.6660	0.000	2	109.6660	0.000	2	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]O)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(O)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[4,6]C[6]H)	104.4160	0.751	2	104.4160	0.564	2	105.5043	3.835	3	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(O)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(O){1|C<4>,1|C<6>,2|H<1>}	H(C[6]C[4,6]C[6]H)	107.6810	0.000	1	107.6810	0.000	1	105.5043	3.835	3	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[4x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]H)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]H)(H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[4x6]C[6]H)	108.6720	0.030	2	108.6720	0.001	2	108.5803	0.995	4	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[4x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]O[6,6]2)(C[6]C[6]H)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]H)(H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]O[6,6]2)(C[6]C[6]H)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[4x6]C[6]H)	108.4885	1.718	2	108.4885	2.950	2	108.5803	0.995	4	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,3x6]C[6]H)	109.4330	0.000	1	109.4330	0.000	1	109.4261	0.008	17	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,3x6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,3x6]C[6]H)	109.4251	0.098	14	109.4251	0.010	14	109.4261	0.008	17	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[5,6]2)(C[6]C[6]H)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]N[5,6]O)(H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,3x6]C[5,6]2)(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]N[5,6]O)(H){4|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.4295	0.060	2	109.4295	0.004	2	109.4261	0.008	17	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6,6]C[6]H)	109.4115	0.060	4	109.4115	0.004	4	109.0499	0.206	7	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2{1|F<1>,3|H<1>,4|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6,6]C[6]H)	108.5110	0.000	1	108.5677	0.003	3	109.0499	0.206	7	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6,6]C[6]H)	108.5960	0.020	2	108.5677	0.003	3	109.0499	0.206	7	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.4360	0.047	2	109.4360	0.002	2	109.4597	0.105	11	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	109.4580	0.011	2	109.4580	0.000	2	109.4597	0.105	11	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]C)(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2{4|H<1>,6|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]C)(H){1|H<1>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.1427	0.065	4	109.1427	0.004	4	109.4597	0.105	11	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.9920	0.016	2	109.9920	0.000	2	109.4597	0.105	11	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]H)(H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]H)(H){1|O<2>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.7140	0.000	1	109.7140	0.000	1	109.4597	0.105	11	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){5|C<4>}	H(C[6]C[5,6,6]C[6]H)	110.1230	0.024	2	110.1230	0.001	2	109.3662	0.987	42	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]F)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]F)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.9585	0.006	2	108.9585	0.000	2	109.3662	0.987	42	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.0105	0.021	2	109.0105	0.000	2	109.3662	0.987	42	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	110.1480	2.040	8	110.1480	4.161	8	109.3662	0.987	42	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0677	0.074	4	109.0677	0.005	4	109.3662	0.987	42	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.2370	0.030	4	109.2370	0.001	4	109.3662	0.987	42	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8850	0.613	6	108.8850	0.376	6	109.3662	0.987	42	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0765	0.040	8	109.0765	0.002	8	109.3662	0.987	42	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]C)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)2{4|H<1>,6|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]C)(H){1|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.3427	0.066	4	109.3427	0.004	4	109.3662	0.987	42	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.7495	0.009	2	109.7495	0.000	2	109.3662	0.987	42	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6]C[5])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6]C[5])(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.7300	0.000	1	108.7300	0.000	1	108.7300	0.000	1	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(Br)	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(Br){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]Br)	109.0190	0.000	1	109.0190	0.000	1	109.0190	0.000	1	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]Br)	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Br)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]Br)	108.9715	0.135	2	108.9715	0.018	2	108.9715	0.018	2	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]Cl)	109.1892	0.149	5	109.1892	0.022	5	109.1892	0.022	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.8565	0.010	4	109.8565	0.000	4	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.6900	0.000	1	108.3587	1.329	3	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	107.6930	0.017	2	108.3587	1.329	3	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9111	0.580	10	108.8602	0.290	12	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.6055	0.045	2	108.8602	0.290	12	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.1350	0.030	2	110.1350	0.001	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H)2{3|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	110.8970	1.738	2	110.8970	3.021	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.4200	0.008	2	108.4200	0.000	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0733	0.019	6	109.0733	0.000	6	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]Br)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]Br)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8350	0.018	2	108.8350	0.000	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.4553	0.032	4	108.4553	0.001	4	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.8522	0.016	4	109.8522	0.000	4	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2348	0.376	6	109.2348	0.142	6	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]H)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|Fe<10>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2225	0.110	14	109.2225	0.012	14	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5305	0.026	2	109.5305	0.001	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4050	0.041	2	109.4050	0.002	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.7290	0.656	4	108.7290	0.430	4	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)2{5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|Fe<10>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.2760	3.267	2	110.2760	10.672	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|Fe<10>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2666	0.119	11	109.2666	0.014	11	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2405	0.016	2	109.4172	0.043	4	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.5940	0.058	2	109.4172	0.043	4	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.5685	0.006	2	109.5685	0.000	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6670	0.023	2	109.1877	1.277	11	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0170	0.000	1	109.1877	1.277	11	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5775	0.012	2	109.1877	1.277	11	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8990	3.374	2	109.1877	1.277	11	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1455	0.009	2	109.1877	1.277	11	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7350	0.085	2	109.1877	1.277	11	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.5945	3.177	2	109.4697	2.381	61	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0980	0.024	2	109.4697	2.381	61	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1977	1.389	14	109.4697	2.381	61	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2913	0.163	4	109.4697	2.381	61	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5100	0.061	2	109.4697	2.381	61	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6230	0.197	4	109.4697	2.381	61	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3133	2.323	15	109.4697	2.381	61	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	112.5640	1.230	2	109.4697	2.381	61	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4795	2.088	2	109.4697	2.381	61	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.9275	0.767	2	109.4697	2.381	61	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2550	0.076	4	109.4697	2.381	61	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|P<4>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0607	0.438	4	109.4697	2.381	61	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4655	0.018	2	109.4697	2.381	61	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4920	0.020	2	109.4697	2.381	61	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4810	0.018	2	109.4810	0.000	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	107.5805	7.516	2	107.5805	56.488	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.8940	0.017	2	109.4564	0.726	12	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9110	0.011	2	109.4564	0.726	12	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9297	0.163	4	109.4564	0.726	12	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.5370	0.971	4	109.4564	0.726	12	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	110.0205	0.035	2	110.0205	0.001	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.2140	0.074	6	110.2140	0.006	6	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9857	0.045	3	109.9857	0.002	3	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.4170	1.978	2	111.3328	12.788	4	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	111.2485	5.867	2	111.3328	12.788	4	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.5535	0.016	2	109.5535	0.000	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9430	0.000	1	109.9430	0.000	1	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.7855	0.028	2	108.7855	0.001	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5440	0.024	2	109.5440	0.001	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0920	0.126	2	109.0920	0.016	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0815	0.011	4	109.1393	0.004	8	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1970	0.014	4	109.1393	0.004	8	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.1910	0.038	2	109.1910	0.001	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,5a,6]C[5,6a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5a,6]C[5,6a]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	108.6235	0.022	2	108.6235	0.000	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5785	0.026	2	109.5785	0.001	2	109.3757	1.581	214	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(O){1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.0500	2.087	2	108.0500	4.357	2	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1453	0.193	4	109.0151	0.037	8	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8980	0.092	2	109.0151	0.037	8	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8720	0.010	2	109.0151	0.037	8	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){4|C<4>}	H(C[6]C[5,6]C[6]H)	109.4760	0.000	1	109.3817	0.007	3	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3345	0.008	2	109.3817	0.007	3	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6720	0.000	1	108.6720	0.000	1	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]C)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]C)(O){1|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2665	0.049	2	109.2665	0.002	2	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7830	0.000	1	108.7830	0.000	1	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.4885	0.023	2	108.4885	0.001	2	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8310	0.000	1	108.8310	0.000	1	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(O){1|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	108.6310	0.058	4	108.6310	0.003	4	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.7590	0.006	2	108.7590	0.000	2	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]S)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]S)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.9495	0.030	2	108.9495	0.001	2	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[3,6]C)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[3,6]C)(O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.7500	0.000	1	108.7500	0.000	1	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.1540	0.000	1	108.9218	0.056	4	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.9710	0.013	2	108.9218	0.056	4	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.5910	0.000	1	108.9218	0.056	4	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.7430	0.578	4	108.6500	0.159	49	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.0740	0.011	2	108.6500	0.159	49	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7335	0.107	4	108.6500	0.159	49	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	107.5830	0.412	2	108.6500	0.159	49	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9320	0.000	1	108.6500	0.159	49	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8340	0.024	2	108.6500	0.159	49	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.3077	0.190	9	108.6500	0.159	49	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9910	0.021	2	108.6500	0.159	49	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9430	0.027	2	108.6500	0.159	49	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1715	0.018	2	108.6500	0.159	49	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6803	0.158	10	108.6500	0.159	49	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9166	0.122	9	108.6500	0.159	49	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7380	0.033	2	108.7380	0.001	2	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9585	0.049	2	109.0753	0.915	6	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3130	0.007	2	109.0753	0.915	6	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9545	2.098	2	109.0753	0.915	6	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8787	0.987	4	108.7862	0.605	6	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6010	0.017	2	108.7862	0.605	6	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0023	0.051	4	108.9220	0.017	6	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	108.7615	0.019	2	108.9220	0.017	6	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.4665	0.042	2	108.4665	0.002	2	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	108.8185	0.046	2	108.8185	0.002	2	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]O)(H)2{1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	108.6795	0.009	2	108.6795	0.000	2	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	108.8310	0.031	2	108.8310	0.001	2	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	109.5643	2.666	4	109.5643	7.110	4	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0765	0.035	2	109.0765	0.001	2	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	109.1232	0.099	4	109.1232	0.010	4	108.8089	0.418	120	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(H)2{2|C<3>,4|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3795	0.039	2	109.3795	0.002	2	108.6079	1.625	21	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	105.3220	1.703	2	105.3220	2.899	2	108.6079	1.625	21	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2	C[6](C[6]C[5,6]HH)(N[6]N[6]C)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(N[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]C[6]H)	109.3585	0.019	2	109.3585	0.000	2	108.6079	1.625	21	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(C[6]C[5,6]C[6]H)	109.6235	0.130	4	109.6235	0.017	4	108.6079	1.625	21	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]N[6]O)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]N[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.6793	0.234	7	108.6793	0.055	7	108.6079	1.625	21	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5]N[6]O[5])(C[6]N[6]O)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[6]O[5])(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	108.7860	0.031	2	108.7860	0.001	2	108.6079	1.625	21	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]O)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]O)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	107.9120	0.339	2	107.9120	0.115	2	108.6079	1.625	21	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:S-1:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]S)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(S)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]S)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(S){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.4870	0.018	2	108.4870	0.000	2	108.4870	0.000	2	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(Cl)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]Cl)	106.9750	0.000	1	106.9750	0.000	1	106.9750	0.000	1	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(Cl)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(Cl){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1290	0.213	3	109.1290	0.046	3	109.1290	0.046	3	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1630	0.024	2	109.1630	0.001	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2310	0.009	4	109.2310	0.000	4	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9745	0.009	2	108.9745	0.000	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.9450	0.098	2	107.9450	0.010	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2055	0.030	2	109.2055	0.001	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2955	0.006	2	109.4633	0.038	4	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6310	0.007	2	109.4633	0.038	4	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4085	0.015	2	109.4085	0.000	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5935	0.033	2	109.5935	0.001	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8940	0.028	2	108.8940	0.001	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7650	0.000	1	108.7650	0.000	1	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]H)(H)2{3|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2380	0.512	2	108.2380	0.262	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	110.3710	0.526	2	110.3710	0.277	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7225	0.046	2	108.7225	0.002	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9105	0.037	2	108.8756	0.010	7	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8390	0.006	2	108.8756	0.010	7	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8767	0.167	3	108.8756	0.010	7	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7489	0.209	8	108.9879	1.403	14	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{3|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2420	0.016	2	108.9879	1.403	14	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1055	0.004	2	108.9879	1.403	14	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5720	4.079	2	108.9879	1.403	14	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.0625	0.016	2	108.0625	0.000	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9040	0.078	2	108.9040	0.006	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.1180	0.045	2	108.1180	0.002	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7728	1.204	4	108.6063	0.936	6	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2735	0.009	2	108.6063	0.936	6	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9570	0.219	2	108.9570	0.048	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9885	0.060	4	108.9723	0.003	6	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9400	0.048	2	108.9723	0.003	6	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0135	0.039	2	109.0135	0.002	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7695	0.016	2	108.7695	0.000	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8663	0.020	3	108.7796	0.014	5	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6495	0.019	2	108.7796	0.014	5	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9445	0.008	2	108.9445	0.000	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3432	0.134	4	109.4661	0.968	24	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3675	0.234	11	109.4661	0.968	24	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1290	0.048	2	109.4661	0.968	24	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.7876	1.850	7	109.4661	0.968	24	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0910	0.016	2	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3735	0.005	2	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.1225	4.368	2	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1460	0.010	2	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.0935	0.037	2	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.5538	0.776	4	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.4183	0.021	4	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2550	0.000	1	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1295	0.016	2	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.4760	0.017	2	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9844	0.096	5	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8260	0.223	2	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.3015	0.045	2	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.2455	2.048	2	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2235	0.019	2	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7855	0.215	8	109.2365	0.899	44	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.3035	0.025	2	109.3035	0.001	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9560	0.007	2	108.9560	0.000	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8433	0.012	3	109.8608	2.229	29	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1710	0.000	1	109.8608	2.229	29	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.1957	1.310	23	109.8608	2.229	29	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>,3|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.8805	3.266	2	109.8608	2.229	29	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H){1|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.6515	0.025	2	109.6515	0.001	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.2710	0.004	2	110.0580	1.406	4	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.8450	1.319	2	110.0580	1.406	4	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2785	0.576	6	109.2785	0.331	6	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3850	0.016	2	109.3850	0.000	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.4905	0.008	2	108.4905	0.000	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3230	0.042	2	109.3230	0.002	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2253	0.124	3	109.2253	0.015	3	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9920	0.018	2	108.9920	0.000	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1360	0.399	4	109.1360	0.159	4	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(H)2{2|C<4>,2|O<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.9635	0.008	2	107.9635	0.000	2	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0270	0.018	3	109.0270	0.000	3	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8210	0.000	1	109.2170	0.118	3	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4150	0.021	2	109.2170	0.118	3	109.2257	0.906	217	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1115	1.764	2	108.6748	2.697	4	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2380	2.053	2	108.6748	2.697	4	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8760	0.006	2	109.0708	0.051	4	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2655	0.029	2	109.0708	0.051	4	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3640	0.010	2	109.3640	0.000	2	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8595	0.032	2	108.8595	0.001	2	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2830	0.057	2	109.2830	0.003	2	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9350	0.034	4	108.9350	0.001	4	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2127	0.115	3	109.2127	0.013	3	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(O){1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7623	0.112	7	108.7623	0.013	7	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O){4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5410	0.052	2	109.5410	0.003	2	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{3|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6750	0.000	1	109.6750	0.000	1	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O){1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6485	0.164	4	108.6485	0.027	4	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(O){1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.1060	0.000	1	108.1060	0.000	1	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	110.1385	2.221	2	110.1385	4.933	2	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(O){4|C<4>}	H(C[6]C[6,6]C[6]H)	109.2905	0.073	2	109.2905	0.005	2	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(O){1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.5855	0.035	2	109.5855	0.001	2	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]Br)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]Br)(O){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6653	0.096	3	109.6653	0.009	3	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1040	0.047	4	109.1708	0.064	11	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1820	0.014	2	109.1708	0.064	11	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2198	0.389	5	109.1708	0.064	11	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2615	0.054	2	108.9042	0.097	26	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9527	0.174	8	108.9042	0.097	26	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1520	0.000	1	108.9042	0.097	26	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|S<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.9915	0.009	2	108.9042	0.097	26	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9539	0.159	7	108.9042	0.097	26	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8655	0.026	2	108.9042	0.097	26	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0330	0.102	2	108.9042	0.097	26	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8770	0.020	2	108.9042	0.097	26	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8085	0.026	4	108.8085	0.001	4	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8460	0.008	2	108.9495	0.016	4	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0530	0.069	2	108.9495	0.016	4	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0100	0.054	2	109.3080	0.119	4	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.6060	0.010	2	109.3080	0.119	4	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0905	0.008	2	109.0905	0.000	2	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.4050	0.174	4	108.4050	0.030	4	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9135	0.013	2	108.9135	0.000	2	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5420	0.054	2	108.5420	0.003	2	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0340	0.000	1	108.9613	0.005	3	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9250	0.049	2	108.9613	0.005	3	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]N[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2530	0.016	2	109.2530	0.000	2	109.0087	0.265	109	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.2500	0.691	4	107.2500	0.477	4	108.3487	0.572	41	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]N[6]O)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6a]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8635	0.005	2	108.8635	0.000	2	108.3487	0.572	41	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]N[6]O)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.6297	0.192	10	108.6297	0.037	10	108.3487	0.572	41	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.4825	0.006	2	107.4825	0.000	2	108.3487	0.572	41	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.8555	0.082	4	107.8555	0.007	4	108.3487	0.572	41	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.2840	0.000	1	109.2840	0.000	1	108.3487	0.572	41	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6,6]HH)(N[6]N[6]C)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]H)	108.5130	3.100	2	108.5130	9.610	2	108.3487	0.572	41	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6,6]HH)(N[6]N[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6]H)	108.7240	0.140	4	108.7240	0.020	4	108.3487	0.572	41	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]O)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.4960	0.037	2	108.4960	0.001	2	108.3487	0.572	41	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9720	0.024	2	108.9720	0.001	2	108.3487	0.572	41	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5122	0.114	4	108.5122	0.013	4	108.3487	0.572	41	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.1735	0.269	4	108.1735	0.073	4	108.3487	0.572	41	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:S-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(S)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.0960	0.100	3	109.0960	0.010	3	109.0960	0.010	3	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]2Br)	108.7405	0.185	2	108.7405	0.034	2	108.9133	0.051	4	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)	H(C[6]C[6]2Br)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H){1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2Br)	109.0930	0.000	1	109.0930	0.000	1	108.9133	0.051	4	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H)	H(C[6]C[6]2Br)	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(Br)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]BrH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2Br)	109.0790	0.000	1	109.0790	0.000	1	108.9133	0.051	4	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6,6]H)(O)	H(C[6]C[6]2Br)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]BrH)(C[6]C[6,6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2Br)	107.6180	0.000	1	107.6180	0.000	1	108.0190	0.201	3	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6,6]OO)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(O)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]OO)(C[6]C[6]O)(Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(O){1|C<4>,3|O<2>}	H(C[6]C[6]2Br)	108.2195	0.401	2	108.2195	0.161	2	108.0190	0.201	3	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:	C[6](C[6]C[6]Cl2)(C[6]C[6]Cl)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]Cl2)(C[6]C[6]Cl)(Cl)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl){3|Cl<1>,1|C<3>,1|C<4>}	H(C[6]C[6]2Cl)	108.4070	0.000	1	108.4070	0.000	1	108.4070	0.000	1	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]H)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2Cl)	108.5060	0.038	3	108.5060	0.001	3	109.0540	0.589	8	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]I)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]ClH)(C[6]C[5,6]I)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2Cl)	110.7660	0.000	1	110.7660	0.000	1	109.0540	0.589	8	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]CO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2Cl)	109.0670	0.000	1	109.0670	0.000	1	109.0540	0.589	8	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2Cl)	109.0770	0.000	1	109.0770	0.000	1	109.0540	0.589	8	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2Cl)	109.0020	0.532	2	109.0020	0.283	2	109.0540	0.589	8	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:I-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]I)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(I)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HO)(C[6]C[6]I)(Cl)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]H)(I){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2Cl)	109.3530	0.000	1	109.3530	0.000	1	109.3530	0.000	1	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]H)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]C[6]H)(F)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]H)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2F)	109.2890	0.000	1	109.2890	0.000	1	109.4958	0.458	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]H)(H)	H(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(F)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2F)	108.8930	0.000	1	108.8930	0.000	1	109.4958	0.458	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]H)(H)	H(C[6]C[6]2F)	C[6](C[6]N[6]HH)(C[6]C[6]H)(F)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]FH)(C[6]C[6]H)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2F)	108.8790	0.000	1	108.8790	0.000	1	109.4958	0.458	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]H)(H)	H(C[6]C[6]2F)	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2F)	110.2090	0.170	2	110.2090	0.029	2	109.4958	0.458	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]H)(O)	H(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2F)	108.4890	0.229	2	108.4890	0.052	2	108.4890	0.052	2	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(O)	H(C[6]C[6]2F)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(F)(H){2|C<4>,3|C<3>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2F)	109.0000	0.000	1	109.0000	0.000	1	108.3890	0.859	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(O)	H(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]O)(F)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2F)	109.1890	0.000	1	109.1890	0.000	1	108.3890	0.859	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(O)	H(C[6]C[6]2F)	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(F)(H){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2F)	107.6420	0.000	1	107.6420	0.000	1	108.3890	0.859	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(O)	H(C[6]C[6]2F)	C[6](C[6]N[6]CH)(C[6]N[6]O)(F)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2F)	107.1500	0.000	1	107.1500	0.000	1	108.3890	0.859	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]CO)(C[6]N[6]O)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(O)	H(C[6]C[6]2F)	C[6](C[6]N[6]CO)(C[6]N[6]O)(F)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2F)	108.9640	0.000	1	108.9640	0.000	1	108.3890	0.859	5	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]Br)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]Br)(H)2{1|Br<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.9455	0.005	2	108.9455	0.000	2	109.2790	0.149	4	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(Br)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(Br){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.6125	0.046	2	109.6125	0.002	2	109.2790	0.149	4	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.3575	0.063	2	109.3575	0.004	2	109.5008	0.020	6	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.4835	0.008	2	109.4835	0.000	2	109.5008	0.020	6	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6615	0.018	2	109.6615	0.000	2	109.5008	0.020	6	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]H)(H)2{1|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|B<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5650	0.417	4	108.5650	0.174	4	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.5000	0.000	1	109.5000	0.000	1	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]C)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.2600	0.007	2	109.2600	0.000	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1735	0.005	2	109.2898	0.021	6	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3480	0.146	4	109.2898	0.021	6	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|F<1>}	H(C[6]C[6]2H)	108.9245	0.052	2	108.9245	0.003	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1840	0.000	1	109.1840	0.000	1	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0107	0.326	21	109.0107	0.106	21	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3035	0.005	2	109.3035	0.000	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7770	0.011	4	108.7856	0.056	8	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7943	0.361	4	108.7856	0.056	8	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6965	0.006	2	109.6965	0.000	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.3738	0.201	4	109.3090	0.034	6	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1795	0.015	2	109.3090	0.034	6	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	111.6745	3.416	2	111.6745	11.669	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.9143	0.045	3	109.9143	0.002	3	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0810	0.034	2	109.0810	0.001	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4030	0.016	2	108.4030	0.000	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	112.0185	0.504	2	112.0185	0.254	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]AuH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]AuH)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|Au<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2770	0.191	3	109.2770	0.036	3	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7205	0.005	2	109.7205	0.000	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.3230	0.000	1	109.2879	0.063	7	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<2>,2|H<1>}	H(C[6]C[6]2H)	109.2355	0.052	2	109.2879	0.063	7	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{2|C<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,2|C<2>,2|C<4>}	H(C[6]C[6]2H)	109.6075	0.011	2	109.2879	0.063	7	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0030	0.004	2	109.2879	0.063	7	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	113.1355	0.103	2	110.4525	4.326	6	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.1110	0.091	4	110.4525	4.326	6	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.6390	2.452	2	108.6390	6.014	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1660	0.013	2	109.1660	0.000	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.9380	0.000	1	108.9380	0.000	1	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	109.4582	0.361	4	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.7940	0.215	3	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9913	0.107	3	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	111.3630	15.012	2	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.2420	0.010	2	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0975	0.009	2	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.0969	0.207	7	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2602	0.488	5	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0945	0.005	2	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.1660	0.024	4	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.6730	0.028	4	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1405	0.009	2	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1025	0.781	2	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4185	0.008	2	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.2450	0.040	2	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6605	0.008	2	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9993	2.105	4	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2970	0.560	13	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8835	0.008	2	109.2519	3.895	67	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0975	0.016	2	109.1156	0.186	44	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4898	0.506	12	109.1156	0.186	44	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.0995	0.030	2	109.1156	0.186	44	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2825	0.033	4	109.1156	0.186	44	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8611	0.173	9	109.1156	0.186	44	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9497	0.377	4	109.1156	0.186	44	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.3005	0.385	2	109.1156	0.186	44	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|W<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6410	0.000	1	109.1156	0.186	44	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	109.0955	0.037	2	109.1156	0.186	44	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	109.2130	0.020	2	109.1156	0.186	44	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.7990	0.033	2	109.1156	0.186	44	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3400	0.035	2	109.1156	0.186	44	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.7000	0.044	2	109.5140	0.047	4	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.3280	0.034	2	109.5140	0.047	4	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	110.5105	4.205	2	110.5105	17.683	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9507	0.483	4	108.8303	0.175	6	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.5895	0.015	2	108.8303	0.175	6	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9830	0.093	2	108.9830	0.009	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CS)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.0645	0.022	2	109.0645	0.000	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8420	0.011	2	109.1871	0.047	11	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3259	0.094	7	109.1871	0.047	11	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0465	0.054	2	109.1871	0.047	11	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.3137	1.347	8	108.3137	1.816	8	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5840	0.042	2	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.9530	0.473	4	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5463	0.105	3	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	109.2500	0.000	1	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0512	0.205	5	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8021	0.527	22	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2320	0.000	1	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5925	0.027	4	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.3735	0.561	2	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	110.6235	0.919	2	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1010	2.464	2	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.3972	0.117	6	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	110.4980	0.016	2	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2880	0.010	2	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3540	0.007	2	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	108.9930	0.000	1	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9924	0.457	31	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8817	0.256	6	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4660	0.468	3	109.0562	0.436	101	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.4090	1.413	4	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.2885	0.142	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.0745	0.052	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3100	0.020	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4950	0.010	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2367	0.154	3	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	109.4145	0.022	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3295	0.037	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	108.9681	1.120	11	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8265	0.030	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	110.2793	2.858	4	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.0360	2.098	4	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.4230	0.810	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5960	0.000	1	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2705	0.356	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6120	0.008	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	107.8728	0.865	6	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7650	3.712	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2975	0.012	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2720	0.159	4	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3363	0.091	4	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3034	0.134	10	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	108.8155	2.733	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.8695	0.097	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2263	0.059	3	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8985	0.019	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1273	1.501	28	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Fe<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|Fe<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5555	0.059	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1302	0.065	4	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2395	0.407	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.2845	0.045	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	112.2520	5.032	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0880	0.146	2	109.1471	1.789	126	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]I)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(H){1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0015	0.090	2	109.0015	0.008	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	109.1480	0.000	1	109.0446	0.004	5	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0485	0.021	2	109.0446	0.004	5	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9890	0.006	2	109.0446	0.004	5	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	107.9135	8.247	2	108.8545	23.852	4	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7955	0.015	2	108.8545	23.852	4	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Pt<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1780	0.071	2	109.1780	0.005	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	110.1370	0.000	1	109.9946	0.007	5	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|Li<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.9590	0.033	4	109.9946	0.007	5	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<3>,1|O<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H){1|Si<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5155	0.030	2	109.6453	0.016	7	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,1|O<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H){1|Li<3>,1|Li<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7140	0.115	4	109.6453	0.016	7	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,1|O<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H){1|Li<3>,1|Li<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6300	0.000	1	109.6453	0.016	7	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8360	0.007	2	109.7129	0.015	8	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6305	0.006	2	109.7129	0.015	8	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5675	0.006	2	109.7129	0.015	8	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8175	0.009	2	109.7129	0.015	8	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]P[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<3>}	C[6](C[6]C[6]HH)(C[6]P[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7665	0.033	4	108.7665	0.001	4	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4414	0.088	9	109.6198	0.639	14	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	109.5067	0.086	3	109.6198	0.639	14	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.5920	2.454	2	109.6198	0.639	14	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.4540	2.179	2	110.4540	4.749	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.7365	0.776	4	109.7365	0.601	4	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]2H)	109.8781	0.154	7	109.8781	0.024	7	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.1790	0.871	4	108.8253	4.042	6	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	110.1180	3.595	2	108.8253	4.042	6	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3935	0.009	2	109.2800	0.014	6	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1480	0.081	2	109.2800	0.014	6	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.2985	0.053	2	109.2800	0.014	6	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]I)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|H<1>,1|I<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.9425	0.084	2	108.9425	0.007	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	109.1400	0.000	1	109.0157	0.441	3	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	108.9535	0.927	2	109.0157	0.441	3	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.8070	1.913	4	108.8070	3.660	4	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3010	1.113	2	109.3010	1.239	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9513	0.280	10	109.0267	0.057	18	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<2>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0305	0.018	2	109.0267	0.057	18	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<2>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2485	0.053	4	109.0267	0.057	18	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9565	0.018	2	109.0267	0.057	18	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8333	0.248	3	109.0822	0.049	11	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1970	0.033	2	109.0822	0.049	11	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2375	0.036	2	109.0822	0.049	11	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1337	0.175	4	109.0822	0.049	11	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.0520	0.014	2	109.0520	0.000	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.1197	0.056	4	109.1197	0.003	4	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	111.1515	1.309	2	111.1515	1.713	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.5623	0.145	4	109.5623	0.021	4	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.9450	0.000	1	109.1296	0.167	12	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2150	0.040	2	109.1296	0.167	12	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.4345	0.456	2	109.1296	0.167	12	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.2695	0.271	4	109.1296	0.167	12	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.3075	0.084	2	109.1296	0.167	12	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6180	0.000	1	109.1296	0.167	12	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]B[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|B<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]B[6]H)(H){2|H<1>,2|N<3>}	H(C[6]C[6]2H)	110.3625	3.668	2	110.3625	13.452	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.7920	0.000	1	109.3206	0.052	15	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2305	0.005	2	109.3206	0.052	15	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.7330	0.037	2	109.3206	0.052	15	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3293	0.022	4	109.3206	0.052	15	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1450	0.028	2	109.3206	0.052	15	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3120	0.023	2	109.3206	0.052	15	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4295	0.018	2	109.3206	0.052	15	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.4820	1.612	3	109.1384	2.107	5	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	110.1230	0.044	2	109.1384	2.107	5	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	110.0560	0.153	2	110.0560	0.023	2	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.7428	0.163	13	109.9875	0.904	17	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1365	0.005	2	109.9875	0.904	17	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	112.4290	0.023	2	109.9875	0.904	17	109.2309	1.360	643	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:I-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]I)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(I)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]I)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(I){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5340	0.045	2	109.5340	0.002	2	109.5340	0.002	2	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0940	0.004	2	109.0940	0.000	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.9720	0.273	36	108.9720	0.075	36	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7575	0.012	2	108.7575	0.000	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.9440	0.000	1	109.1870	0.045	3	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3085	0.023	2	109.1870	0.045	3	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9315	0.026	2	108.9315	0.001	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9520	0.144	2	108.9520	0.021	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8295	0.006	2	108.8295	0.000	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5a]C[6a]N[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6a]N[6])(C[6]C[6]O)(H)2{1|H<1>,1|S<2>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.8010	0.023	2	108.8010	0.001	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.1135	0.019	2	109.1135	0.000	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.6355	1.552	4	108.5009	1.892	8	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3663	0.091	4	108.5009	1.892	8	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.1543	1.456	4	108.4098	0.254	36	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.5130	0.104	4	108.4098	0.254	36	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.3538	0.315	18	108.4098	0.254	36	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|O<1>,2|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.5714	0.140	10	108.4098	0.254	36	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.6698	0.276	9	108.6405	0.112	176	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.6691	0.355	110	108.6405	0.112	176	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){4|C<4>}	H(C[6]C[6]2H)	108.9880	0.006	2	108.6405	0.112	176	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.6110	0.383	19	108.6405	0.112	176	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.5379	0.232	35	108.6405	0.112	176	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.6860	0.000	1	108.6405	0.112	176	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.9412	0.058	4	108.7266	0.661	69	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	108.8615	0.019	2	108.7266	0.661	69	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.7435	1.161	32	108.7266	0.661	69	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.6402	0.394	16	108.7266	0.661	69	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.5125	0.012	2	108.7266	0.661	69	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){4|C<4>}	H(C[6]C[6]2H)	108.7885	0.240	6	108.7266	0.661	69	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){4|C<4>}	H(C[6]C[6]2H)	108.6934	0.100	7	108.7266	0.661	69	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.5395	0.016	2	108.4187	1.645	10	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.0275	2.134	4	108.4187	1.645	10	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.7495	0.148	4	108.4187	1.645	10	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|N<3>,3|C<4>}	H(C[6]C[6]2H)	106.8115	0.859	2	107.6092	2.894	28	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	107.6168	1.807	24	107.6092	2.894	28	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.3155	0.043	2	107.6092	2.894	28	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(O){1|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.5515	2.688	2	107.5515	7.224	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.5365	0.161	4	108.5852	0.021	6	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.6825	0.012	2	108.5852	0.021	6	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7237	0.157	4	108.0899	2.246	16	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1500	0.000	2	108.0899	2.246	16	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|Si<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.0770	0.004	2	108.0899	2.246	16	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9430	0.011	2	108.0899	2.246	16	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.1515	0.016	2	108.0899	2.246	16	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	H(C[6]C[6]2H)	104.7940	2.561	2	108.0899	2.246	16	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.1560	0.006	2	108.0899	2.246	16	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2433	0.162	4	108.6225	6.606	15	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0765	0.012	2	108.6225	6.606	15	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0797	3.329	7	108.6225	6.606	15	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	105.3265	0.882	2	108.6225	6.606	15	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8300	0.000	1	108.8300	0.000	1	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(O){1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	108.6130	0.010	2	108.6130	0.000	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.3633	0.048	3	108.8646	0.468	5	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.1165	0.006	2	108.8646	0.468	5	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.3175	0.005	2	109.1142	0.055	4	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.9110	0.031	2	109.1142	0.055	4	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1200	0.047	2	109.1200	0.002	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9360	0.000	1	108.9360	0.000	1	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7545	0.015	2	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2630	0.000	1	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4193	0.057	4	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.7258	1.418	4	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.5266	1.574	29	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6302	0.352	6	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4878	0.354	4	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7030	1.027	2	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8997	0.050	4	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.9790	0.006	2	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.6685	2.183	2	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1485	0.030	2	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.7120	0.004	2	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.1407	0.862	8	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.4788	0.130	4	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2825	0.021	2	108.5639	1.258	78	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9205	0.008	2	108.9205	0.000	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3225	0.036	4	108.5141	1.581	48	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6000	0.000	1	108.5141	1.581	48	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.7993	1.027	7	108.5141	1.581	48	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4122	1.210	12	108.5141	1.581	48	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	106.8323	1.770	4	108.5141	1.581	48	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0520	0.082	2	108.5141	1.581	48	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.5920	1.181	4	108.5141	1.581	48	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6470	0.789	12	108.5141	1.581	48	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3395	0.042	2	108.5141	1.581	48	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	106.0785	0.231	2	106.0785	0.053	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(O){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1035	0.035	2	109.1035	0.001	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2136	0.261	17	109.2136	0.068	17	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.3320	0.000	1	109.3320	0.000	1	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.7275	0.159	2	108.9465	0.040	6	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]2H)	109.1445	0.023	2	108.9465	0.040	6	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9675	0.026	2	108.9465	0.040	6	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1900	0.000	1	109.1900	0.000	1	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.3570	0.054	3	109.4786	0.029	5	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6610	0.020	2	109.4786	0.029	5	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<3>,2|C<4>}	H(C[6]C[6]2H)	108.5130	0.055	4	108.5130	0.003	4	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.5385	0.021	2	108.7823	0.179	3	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[6]2H)	109.2700	0.000	1	108.7823	0.179	3	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	106.6125	2.273	2	108.8527	1.867	12	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|F<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.9810	0.010	2	108.8527	1.867	12	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	110.2080	0.188	2	108.8527	1.867	12	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.5380	0.008	2	108.8527	1.867	12	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3882	0.285	4	108.8527	1.867	12	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.0200	0.048	2	109.0200	0.002	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.1280	0.571	2	109.1280	0.326	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.6120	0.021	2	108.6120	0.000	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|Br<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.1110	0.033	2	109.1110	0.001	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	107.4430	1.991	2	108.4598	1.417	6	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9682	0.083	4	108.4598	1.417	6	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|I<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	109.1778	0.239	4	109.2869	0.047	7	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|I<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4323	0.028	3	109.2869	0.047	7	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.2715	0.056	2	109.2715	0.003	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Si)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|Si<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]Si)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.2890	0.007	2	108.2890	0.000	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.5525	0.049	4	108.5525	0.002	4	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.4545	0.029	2	109.4545	0.001	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.0580	0.017	2	109.2008	0.014	6	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.2722	0.053	4	109.2008	0.014	6	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1075	0.005	2	109.1700	0.424	6	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2013	0.838	4	109.1700	0.424	6	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6483	0.083	4	109.6483	0.007	4	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7572	0.089	4	109.7572	0.008	4	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5670	0.000	1	109.5670	0.000	1	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7045	0.022	2	109.7045	0.000	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]S[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]S[6]CC)(C[6]C[6]O)(H)2{2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>}	H(C[6]C[6]2H)	108.7915	0.077	2	108.7915	0.006	2	108.6492	0.922	671	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9557	0.078	4	108.9557	0.006	4	108.9557	0.006	4	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]N[6]O)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.7440	0.014	2	107.7440	0.000	2	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.6820	0.016	2	108.9220	0.078	4	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.1620	0.047	2	108.9220	0.078	4	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.6111	0.100	8	108.6111	0.010	8	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.5627	0.212	9	108.4699	0.150	15	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0385	0.019	2	108.4699	0.150	15	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.9767	0.126	4	108.4699	0.150	15	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.7297	0.364	3	108.7297	0.133	3	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	109.4133	0.370	3	109.4133	0.137	3	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.5510	0.041	2	108.5607	0.170	41	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.8440	0.037	2	108.5607	0.170	41	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.0980	0.016	2	108.5607	0.170	41	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0557	0.095	11	108.5607	0.170	41	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4627	0.189	8	108.5607	0.170	41	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1295	0.009	2	108.5607	0.170	41	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.3120	0.028	4	108.5607	0.170	41	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.5785	0.005	2	108.5607	0.170	41	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5145	0.015	2	108.5607	0.170	41	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5095	0.015	2	108.5607	0.170	41	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.9295	0.060	2	108.5607	0.170	41	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.0575	0.036	2	108.5607	0.170	41	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|F<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	105.1442	1.846	8	108.1899	1.611	112	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.7537	0.059	4	108.1899	1.611	112	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9486	0.216	18	108.1899	1.611	112	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.4542	0.979	27	108.1899	1.611	112	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.1217	0.176	3	108.1899	1.611	112	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6740	0.000	1	108.1899	1.611	112	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0080	0.000	1	108.1899	1.611	112	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.5535	0.161	2	108.1899	1.611	112	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5540	0.010	2	108.1899	1.611	112	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6275	0.138	4	108.1899	1.611	112	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.4220	0.588	4	108.1899	1.611	112	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5909	0.141	24	108.1899	1.611	112	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.8656	0.966	14	108.1899	1.611	112	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.2920	0.000	1	108.2920	0.000	1	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	99.9480	8.002	4	102.7442	57.181	6	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3365	0.025	2	102.7442	57.181	6	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|Pd<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0023	0.251	4	109.0023	0.063	4	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1690	0.042	2	109.1690	0.002	2	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]HH)(N[6]N[6]C)(O){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1300	0.034	2	109.1300	0.001	2	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8562	0.153	5	109.0156	0.090	7	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|Co<6>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4140	0.048	2	109.0156	0.090	7	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	110.0260	0.025	2	110.0260	0.001	2	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6610	0.017	2	108.6610	0.000	2	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5670	0.021	2	108.5670	0.000	2	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.6670	0.010	2	108.6670	0.000	2	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	109.4240	0.027	2	109.4240	0.001	2	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.8671	0.403	10	108.8352	0.425	19	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8265	0.125	4	108.8352	0.425	19	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	108.6625	2.460	2	108.8352	0.425	19	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.7640	0.000	1	108.8352	0.425	19	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9010	0.024	2	108.8352	0.425	19	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7158	0.386	6	108.7158	0.149	6	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(C[6]C[6]2H)	109.2366	0.227	8	109.2366	0.051	8	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.6390	0.000	1	108.6390	0.000	1	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8160	0.027	2	109.9575	0.029	4	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	110.0990	0.069	2	109.9575	0.029	4	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]2H)	109.4162	0.132	6	109.4162	0.017	6	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.7600	0.157	4	109.7600	0.025	4	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]HN)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]HN)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|N<3>}	H(C[6]C[6]2H)	108.7740	0.086	2	108.7740	0.007	2	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]HS)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]HS)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]2H)	108.9428	0.308	4	108.9428	0.095	4	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]S[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]2H)	C[6](C[6]S[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>}	H(C[6]C[6]2H)	108.8885	0.043	2	108.8885	0.002	2	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	108.7250	0.191	4	108.8423	0.055	6	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.0770	0.017	2	108.8423	0.055	6	108.4510	2.627	282	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:S-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(S)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]S)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(S){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.0170	0.054	2	108.0170	0.003	2	108.0170	0.003	2	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:C[6]-3:H-1:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2O)	106.3710	0.000	1	106.3710	0.000	1	106.3710	0.000	1	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	N[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H){1|B<4>,1|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.3076	0.174	7	109.3076	0.030	7	109.3076	0.030	7	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]O[6]PtH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]O[6]PtH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|Pt<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8325	0.294	4	108.8325	0.087	4	108.8325	0.087	4	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]N[6]O)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	107.4225	1.456	2	107.4225	2.120	2	108.5283	2.546	10	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]N[6]O)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0535	0.022	2	109.0535	0.000	2	108.5283	2.546	10	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6]C[6]CoC)(C[6]N[6]O)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoC)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|Co<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.8940	0.021	2	107.8940	0.000	2	108.5283	2.546	10	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2{4|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.2905	3.190	2	110.2905	10.175	2	108.5283	2.546	10	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]O)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|Ni<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.9810	0.085	2	107.9810	0.007	2	108.5283	2.546	10	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]H)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]H)(H)2{1|C<3>,1|W<6>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(H){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	H(C[6]P[6,6]C[6]H)	108.9165	0.199	2	108.9165	0.039	2	108.9165	0.039	2	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:1:	4:	S[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](S[6]C[6]OO)(C[6]C[6]H)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]F)(H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6]OO)(C[6]C[6]H)(H)2{1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]F)(H){1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6]S[6]H)	109.1315	0.011	2	109.1315	0.000	2	109.1315	0.000	2	108.9377	1.435	2629	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NN)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NN){1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.5985	0.043	6	109.5985	0.002	6	109.5985	0.002	6	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]N[6])(H)2	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(N[6]N[6])	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]N[6])(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(N[6]N[6]){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[3,6]C[6]H)	109.5750	0.034	2	109.5750	0.001	2	109.5750	0.001	2	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[4,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(OC)	H(C[6]C[4,5,6,6]C[6]H)	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(OC){1|O<1>,3|C<4>}	H(C[6]C[4,5,6,6]C[6]H)	108.4720	0.092	4	108.4720	0.008	4	108.4720	0.008	4	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6a]N[6])(H)2	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(N[6]C[6])	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6a]N[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(N[6]C[6]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[5,5,6]C[6]H)	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NN[5])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NN[5]){1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	108.6030	0.071	3	108.6030	0.005	3	108.6030	0.005	3	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.4580	0.007	2	108.4580	0.000	2	108.7428	0.397	10	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.0955	1.353	2	108.0955	1.830	2	108.7428	0.397	10	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0505	0.042	2	109.0505	0.002	2	108.7428	0.397	10	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2{1|N<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.8560	0.025	2	108.8560	0.001	2	108.7428	0.397	10	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2540	0.028	2	109.2540	0.001	2	108.7428	0.397	10	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]N[6])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]N[6]){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.4955	0.032	2	109.4955	0.001	2	109.3106	1.075	10	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]N[6])(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]N[6])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]N[6])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]N[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0680	0.016	2	109.0680	0.000	2	109.3106	1.075	10	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6a]N[6])(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]O[6])	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6a]N[6])(H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]O[6]){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.3298	1.377	6	109.3298	1.897	6	109.3106	1.075	10	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(NO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(NO){1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2555	0.015	2	109.2555	0.000	2	109.2850	0.002	4	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(NN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(NN){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3145	0.030	2	109.3145	0.001	2	109.2850	0.002	4	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(OC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|N<3>}	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(OC){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6755	0.033	2	108.6755	0.001	2	108.9343	0.190	23	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6210	0.006	2	108.6210	0.000	2	108.9343	0.190	23	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OSi)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OSi){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5385	0.033	2	108.5385	0.001	2	108.9343	0.190	23	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5637	0.043	4	108.5637	0.002	4	108.9343	0.190	23	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7930	0.018	2	108.7930	0.000	2	108.9343	0.190	23	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7670	0.031	2	108.7670	0.001	2	108.9343	0.190	23	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	109.4360	0.031	4	109.4360	0.001	4	108.9343	0.190	23	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){1|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	109.7137	0.033	3	109.7137	0.001	3	108.9343	0.190	23	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7800	0.066	2	108.7800	0.004	2	108.9343	0.190	23	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6])	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7970	0.021	3	108.7970	0.000	3	108.7970	0.000	3	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]Cl)(OC)	H(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)(C[6]C[6]O)(Cl)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]Cl)(OC){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2Cl)	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.2615	0.057	2	108.2615	0.003	2	108.9009	0.521	8	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5860	0.378	2	109.5860	0.143	2	108.9009	0.521	8	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]N)(CN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]N)(CN){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7345	1.289	2	108.7345	1.662	2	108.9009	0.521	8	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.0215	0.035	2	109.0215	0.001	2	108.9009	0.521	8	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[5,6]HS)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HS)(C[6]C[6]N)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NO){1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	109.2570	0.008	2	109.2570	0.000	2	108.8942	1.292	32	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NN){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9260	0.135	3	108.9260	0.018	3	108.8942	1.292	32	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	111.0785	1.583	2	111.0785	2.507	2	108.8942	1.292	32	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0975	0.006	2	107.7662	2.369	4	108.8942	1.292	32	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	106.4350	0.139	2	107.7662	2.369	4	108.8942	1.292	32	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4575	0.005	2	108.2097	2.199	4	108.8942	1.292	32	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.9620	0.608	2	108.2097	2.199	4	108.8942	1.292	32	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3270	0.000	1	108.4052	0.317	5	108.8942	1.292	32	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1748	0.261	4	108.4052	0.317	5	108.8942	1.292	32	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6180	0.050	4	108.6180	0.003	4	108.8942	1.292	32	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(NN){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5870	0.000	1	109.5870	0.000	1	108.8942	1.292	32	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(NO){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5453	0.038	3	109.5453	0.001	3	108.8942	1.292	32	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN){1|N<3>,3|C<3>}	H(C[6]C[6]2H)	109.9095	0.039	2	109.9095	0.002	2	108.8942	1.292	32	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NS)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NS){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3615	0.005	2	109.3615	0.000	2	108.8942	1.292	32	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.0933	0.129	3	108.0933	0.017	3	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7305	0.025	2	108.7305	0.001	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6845	0.019	2	108.6845	0.000	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.5690	0.034	4	108.5690	0.001	4	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.9804	0.190	10	108.9804	0.036	10	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.5728	0.792	99	108.5728	0.615	101	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.5740	0.004	2	108.5728	0.615	101	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.5210	0.016	2	108.5210	0.000	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC[6a])	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC[6a]){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.2192	0.202	11	109.2192	0.041	11	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.9620	0.010	2	108.9620	0.000	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OPd)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OPd){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.1575	0.600	2	109.1575	0.360	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]I)(OB)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(OB){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.5872	0.101	6	108.5872	0.010	6	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(OCu)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(OCu){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.5890	0.035	2	108.5890	0.001	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(OH){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.6990	0.000	1	108.6990	0.000	1	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	109.0710	0.000	1	109.0710	0.000	1	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OIr)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OIr){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	107.9690	0.083	2	107.9690	0.007	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2115	0.015	2	109.2115	0.000	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3300	0.021	2	109.3300	0.000	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.8895	0.840	27	109.0974	1.105	37	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9940	0.074	2	109.0974	1.105	37	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.6200	0.028	2	109.0974	1.105	37	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	112.2170	0.393	2	109.0974	1.105	37	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2318	0.163	4	109.0974	1.105	37	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2925	0.040	2	109.2925	0.002	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OPd)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OPd){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6495	0.232	4	108.6495	0.054	4	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	111.1980	5.609	2	111.1980	31.458	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OPt)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OPt){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1960	0.020	2	109.1960	0.000	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(ORu)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(ORu){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4060	4.397	2	108.4060	19.332	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7420	0.034	2	108.7910	0.061	8	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8073	0.289	6	108.7910	0.061	8	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2190	0.004	2	109.2003	0.001	3	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1630	0.000	1	109.2003	0.001	3	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<3>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9595	0.023	2	108.9636	0.119	30	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9594	0.348	8	108.9636	0.119	30	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8367	0.537	8	108.9636	0.119	30	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0516	0.182	12	108.9636	0.119	30	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.6540	0.113	4	109.6540	0.013	4	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0730	0.006	2	109.0730	0.000	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.1192	0.298	4	109.1192	0.089	4	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.6555	0.022	2	109.6555	0.000	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.5895	0.569	2	109.5895	0.324	2	108.8385	0.750	259	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	107.5095	0.521	2	107.5095	0.272	2	108.4445	1.256	4	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(SC[6a])	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(SC[6a]){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	109.3795	0.016	2	109.3795	0.000	2	108.4445	1.256	4	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Fe<6>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(NO){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.6320	0.027	2	109.6320	0.001	2	109.2446	0.282	12	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(NO){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.1628	0.625	8	109.1628	0.391	8	109.2446	0.282	12	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-2:	C[6]-4:	C[6](C[6]N[6]HP)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(NS)	H(C[6]C[6]2H)	C[6](C[6]N[6]HP)(C[6]N[6]N)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(NS){1|H<1>,1|N<3>,1|O<1>,1|P<4>}	H(C[6]C[6]2H)	109.1845	0.016	2	109.1845	0.000	2	109.2446	0.282	12	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:S-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]S)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(SCu)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(SCu){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0770	0.089	3	109.0770	0.008	3	109.0770	0.008	3	108.8884	0.712	385	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(CHH)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(CHH){1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.3355	0.070	2	109.3355	0.005	2	109.3355	0.005	2	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NHH)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NHH){1|O<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	109.1565	0.133	4	109.1565	0.018	4	109.1565	0.018	4	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]C)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.8260	0.023	2	108.8260	0.001	2	108.8260	0.001	2	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)2	C[6](C[6]C[4,6]HH)(C[6]N[6]C)(COO)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]N[6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	108.6958	0.758	4	108.6958	0.575	4	109.0792	0.698	6	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]C)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(CSnH)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(CSnH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.8460	0.024	2	109.8460	0.001	2	109.0792	0.698	6	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6])(H)2	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(C[6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	110.8985	2.655	2	110.8985	7.050	2	110.8985	7.050	2	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[4,6]H)(CCO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[4,6]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7980	0.007	2	109.7980	0.000	2	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6600	0.013	2	109.6600	0.000	2	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1385	0.030	2	108.6772	0.195	5	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.3697	0.188	3	108.6772	0.195	5	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3166	0.142	7	109.3166	0.020	7	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.3595	0.084	2	109.3595	0.007	2	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.6035	0.045	2	109.6035	0.002	2	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]C)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	110.1110	0.000	1	110.1110	0.000	1	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CNO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CNO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	110.3558	1.360	4	110.3558	1.851	4	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7770	0.019	3	108.7770	0.000	3	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(COO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(COO){1|C<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.5660	0.027	2	108.5660	0.001	2	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CCH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CCH){2|C<3>,2|S<2>}	H(C[6]C[5,6]C[6]H)	110.6775	0.923	2	110.6775	0.852	2	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H){2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.6472	0.468	6	109.6472	0.219	6	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CCH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CCH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2919	0.248	7	109.2919	0.061	7	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.1647	0.551	3	109.1647	0.304	3	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.0758	0.238	12	109.0758	0.057	12	109.3521	0.422	60	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	H(C[6]C[5,6]C[6]H)	110.6060	0.659	2	110.6060	0.434	2	109.4938	1.795	4	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.3815	0.039	2	108.3815	0.002	2	109.4938	1.795	4	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NCH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NCH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.7055	0.016	2	109.7055	0.000	2	109.7055	0.000	2	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	109.6525	0.013	2	109.6525	0.000	2	109.1721	0.158	16	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.6925	0.039	2	109.2013	0.326	4	109.1721	0.158	16	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.7100	0.099	2	109.2013	0.326	4	109.1721	0.158	16	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.5785	0.080	2	109.5785	0.006	2	109.1721	0.158	16	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.8470	0.072	5	108.8470	0.005	5	109.1721	0.158	16	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0840	0.081	3	109.0840	0.007	3	109.1721	0.158	16	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(Br)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]C)(COO)	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(Br)(H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]C)(COO){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]Br)	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]H)(CHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]H)(CHO){1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.4426	0.048	5	109.4426	0.002	5	109.1265	0.538	41	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CBrC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CBrC){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.1070	0.000	1	110.1070	0.000	1	109.1265	0.538	41	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(CHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|Cl<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(CHO){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7473	0.222	4	108.7473	0.049	4	109.1265	0.538	41	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHO){5|C<4>}	H(C[6]C[6,6]C[6]H)	108.8088	0.057	4	108.8088	0.003	4	109.1265	0.538	41	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO){5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0450	0.000	1	109.0450	0.000	1	109.1265	0.538	41	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(COO){2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.7400	0.151	3	108.7400	0.023	3	109.1265	0.538	41	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8180	0.004	2	108.8180	0.000	2	109.1265	0.538	41	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH){3|C<4>}	H(C[6]C[6,6]C[6]H)	109.6760	1.241	4	109.6760	1.541	4	109.1265	0.538	41	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CCO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CCO){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8785	0.012	2	108.8785	0.000	2	109.1265	0.538	41	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCC){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	107.6435	0.718	2	107.6435	0.515	2	109.1265	0.538	41	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH){1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	110.7825	1.002	2	110.7825	1.004	2	109.1265	0.538	41	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(CC[6a]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]C)(H)2{1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(CC[6a]H){1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.3203	0.306	4	109.3203	0.094	4	109.1265	0.538	41	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]C)(H)2{1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.9333	0.147	4	108.9333	0.022	4	109.1265	0.538	41	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,2|N<3>,3|O<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	109.1377	0.317	3	109.1377	0.101	3	109.1265	0.538	41	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.3270	0.017	2	109.3097	0.001	4	109.3097	0.001	4	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2925	0.032	2	109.3097	0.001	4	109.3097	0.001	4	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NCH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NCH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1955	0.018	2	109.1955	0.000	2	109.2580	0.006	4	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NHS)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NHS){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3205	0.026	2	109.3205	0.001	2	109.2580	0.006	4	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.5660	0.028	2	108.5660	0.001	2	108.4771	0.250	8	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,6|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	108.9520	0.004	2	108.9520	0.000	2	108.4771	0.250	8	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]C)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]C)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	107.7475	0.402	2	107.7475	0.162	2	108.4771	0.250	8	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]P)(C[6]C[6a]C[6])(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]P)(C[6]C[6a]C[6])(H)2{1|H<1>,1|S<4>,5|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<1>,1|P<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	108.6430	0.027	2	108.6430	0.001	2	108.4771	0.250	8	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)2	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){3|C<4>,7|H<1>}	H(C[6]C[6]2H)	110.7590	2.222	4	110.7590	4.936	4	110.7590	4.936	4	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2465	0.050	4	109.2465	0.002	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCC){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3477	0.067	3	109.3477	0.004	3	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|C<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4000	0.034	2	109.4000	0.001	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|S<4>,3|C<4>}	H(C[6]C[6]2H)	108.9740	0.017	2	108.9740	0.000	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	110.6955	3.683	2	110.6955	13.567	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHN){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	110.1030	1.738	2	110.1030	3.021	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC){1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1049	0.465	56	109.1049	0.216	56	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,3|C<4>}	H(C[6]C[6]2H)	108.7147	0.311	60	108.7177	0.093	66	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	109.0700	0.062	2	108.7177	0.093	66	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.5863	0.041	4	108.7177	0.093	66	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.0865	0.267	2	109.3307	0.104	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO){1|C<2>,1|C<4>,2|C<3>}	H(C[6]C[6]2H)	109.5750	0.030	2	109.3307	0.104	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,2|C<2>,2|H<1>}	H(C[6]C[6]2H)	109.5950	0.027	2	109.5977	0.000	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|H<1>}	H(C[6]C[6]2H)	109.6005	0.022	2	109.5977	0.000	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.5080	0.120	4	108.5080	0.014	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.4374	0.187	8	108.4374	0.035	8	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	107.8800	0.018	2	107.8800	0.000	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.5250	0.000	1	108.5250	0.000	1	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	108.9399	0.379	8	108.9399	0.144	8	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CClC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CClC){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.8885	0.016	2	110.8885	0.000	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO){1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1645	0.006	2	109.1645	0.000	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4325	0.029	2	109.4325	0.001	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]Te)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]Te){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8905	0.111	6	108.8905	0.012	6	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5a]Te)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5a]Te){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9198	0.051	5	108.9198	0.003	5	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1950	0.000	1	109.1950	0.000	1	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]Sn)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]Sn){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6000	0.006	2	108.6000	0.000	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]C)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]C){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8943	0.164	6	108.8943	0.027	6	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7990	0.034	2	108.7990	0.001	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0540	0.000	1	109.0540	0.000	1	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2283	0.137	16	109.2228	0.015	20	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2007	0.033	4	109.2228	0.015	20	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHI)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHI){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3880	0.028	2	109.3880	0.001	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1825	0.012	2	109.1825	0.000	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2493	0.149	4	109.2493	0.022	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5670	0.020	2	109.4135	0.014	6	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3445	0.006	2	109.4135	0.014	6	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3290	0.007	2	109.4135	0.014	6	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuC){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	110.0545	0.019	2	109.6275	0.243	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2005	0.025	2	109.6275	0.243	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CTeB)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CTeB){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9320	0.024	2	108.9320	0.001	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2210	0.249	15	109.2210	0.062	15	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.4525	0.036	2	109.4525	0.001	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4292	0.313	6	109.2857	0.071	12	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1422	0.094	6	109.2857	0.071	12	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCP)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCP){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9840	0.115	4	108.9840	0.013	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[3]O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[3]O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.6050	1.703	2	107.6050	2.899	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1735	0.082	4	109.1735	0.007	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHH){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2400	0.014	2	109.2400	0.000	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2233	0.146	4	109.2233	0.021	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.1930	0.041	2	108.5251	0.263	10	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.0025	0.266	4	108.5251	0.263	10	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7138	0.098	4	108.5251	0.263	10	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNS)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNS){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6552	1.243	4	108.6552	1.546	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]N)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]N){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8840	0.000	1	108.8840	0.000	1	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9910	0.071	4	108.9910	0.005	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9503	0.030	3	108.9503	0.001	3	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6550	0.372	6	109.6550	0.138	6	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7170	0.112	4	108.7170	0.013	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2795	0.281	4	109.2795	0.079	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2721	0.283	18	109.2112	0.107	20	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6640	0.033	2	109.2112	0.107	20	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9055	0.164	6	108.9055	0.027	6	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2939	0.331	148	109.2673	0.157	153	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9870	0.035	2	109.2673	0.157	153	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	107.6905	1.580	2	109.2673	0.157	153	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0370	0.000	1	109.2673	0.157	153	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Pd)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Pd<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Pd)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2978	0.391	4	109.2978	0.153	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(CCS)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|S<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(CCS){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4760	1.272	6	108.4760	1.619	6	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Te)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Te<3>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Te)(CHO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4030	0.104	4	109.4030	0.011	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6555	0.054	2	109.6555	0.003	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CN[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CN[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8220	0.006	2	109.8220	0.000	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(CC[6a]C)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(CC[6a]C){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5540	0.016	2	109.5540	0.000	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(COO){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5400	0.187	3	109.5400	0.035	3	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[5a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[5a]H){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.8530	0.011	2	109.8530	0.000	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|S<2>}	C[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]O){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7525	0.018	2	108.7525	0.000	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]Si[6]C)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]Si[6]C)(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.0620	0.034	2	108.0620	0.001	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4233	0.083	3	109.4233	0.007	3	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	112.9095	0.401	2	110.1511	2.154	10	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4615	0.171	8	110.1511	2.154	10	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1876	0.315	17	109.1876	0.099	17	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.0150	0.018	2	109.0150	0.000	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	109.2920	0.000	1	109.2920	0.000	1	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1870	0.000	1	109.1870	0.000	1	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.3898	0.132	4	109.3898	0.017	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO){1|C<4>,3|C<3>}	H(C[6]C[6]2H)	109.0450	0.050	3	109.0450	0.003	3	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.7835	0.023	2	108.7835	0.001	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]C)(H)2{5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.6000	0.011	2	108.6000	0.000	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	110.2780	4.773	4	110.2780	22.785	4	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	108.6330	0.000	1	108.6330	0.000	1	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.9335	1.669	2	108.9335	2.787	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]2)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]2){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2210	0.035	2	109.2210	0.001	2	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2960	0.000	1	109.2960	0.000	1	109.1365	0.445	581	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	H(C[6]C[6]2H)	109.3040	0.018	2	109.3040	0.000	2	109.3040	0.000	2	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5]O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5]O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3565	0.013	2	109.3565	0.000	2	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.5435	0.080	2	108.5435	0.006	2	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.9675	0.005	2	108.9675	0.000	2	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.7547	0.225	7	108.6507	0.069	23	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.6052	0.272	16	108.6507	0.069	23	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.6147	0.105	6	108.6147	0.011	6	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5a]H){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.7061	0.099	7	108.7061	0.010	7	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.1118	1.138	17	108.1118	1.296	17	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]I)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(NC[6a]H){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.8800	0.033	2	108.8800	0.001	2	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NC[6a]H){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	107.7190	2.290	2	107.7190	5.242	2	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(NC[6a]H){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.0560	0.021	3	109.0560	0.000	3	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	107.8775	2.444	2	107.8775	5.975	2	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.7975	0.029	2	108.7975	0.001	2	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(NC[6a]H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	108.9780	0.000	1	108.9780	0.000	1	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.6847	0.035	4	108.6847	0.001	4	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4730	0.000	1	109.4730	0.000	1	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1790	0.057	2	109.1790	0.003	2	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9715	0.018	2	108.9715	0.000	2	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[5a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[5a]H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9230	0.000	1	108.9230	0.000	1	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.8990	0.000	1	108.8360	0.025	7	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8255	0.171	6	108.8360	0.025	7	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.3650	1.916	2	108.3650	3.672	2	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1560	0.000	1	109.1560	0.000	1	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2170	0.000	1	109.2170	0.000	1	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6]H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2283	0.015	3	109.2283	0.000	3	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.0790	0.619	2	108.2560	7.644	9	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.3066	3.180	7	108.2560	7.644	9	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCdO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCdO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0093	0.306	3	109.0093	0.094	3	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCuO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCuO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1257	0.093	4	109.1257	0.009	4	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NFeO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NFeO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4255	0.256	43	109.4255	0.066	43	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NZnN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NZnN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0995	0.420	4	109.0995	0.176	4	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NZnO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NZnO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0200	0.016	2	109.0200	0.000	2	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]N)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.4140	0.027	2	108.4140	0.001	2	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6794	0.385	19	109.6794	0.148	19	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1165	0.028	2	109.1165	0.001	2	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.3540	0.053	4	109.3540	0.003	4	108.9516	0.825	187	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9160	0.011	2	108.9160	0.000	2	108.3234	4.174	9	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Ir)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|Ir<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Ir)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8012	0.103	4	108.8012	0.011	4	108.3234	4.174	9	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]Co)(COO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|Co<6>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HH)(N[6]N[6]Co)(COO){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0610	0.000	1	109.0610	0.000	1	108.3234	4.174	9	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]H)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(N[6]N[6]H)(CCO){1|C<3>,2|H<1>}	H(C[6]C[6]2H)	106.4065	4.884	2	106.4065	23.853	2	108.3234	4.174	9	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Cu)(NC[6]Cu)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Cu<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Cu)(NC[6]Cu){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.9505	2.643	4	109.9505	6.987	4	109.1271	4.016	16	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Cu)(NC[6a]Cu)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Cu<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Cu)(NC[6a]Cu){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	107.3577	2.651	4	107.3577	7.030	4	109.1271	4.016	16	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(NHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Fe<6>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(NHO){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.9960	0.035	2	109.8080	0.025	6	109.1271	4.016	16	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(NHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Fe<6>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(NHO){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.7140	0.080	4	109.8080	0.025	6	109.1271	4.016	16	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(NHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(NHH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9760	0.014	2	108.9760	0.000	2	109.1271	4.016	16	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	N[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(COO)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2{2|H<1>,5|C<4>}	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(COO){2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.2985	0.015	2	109.2985	0.000	2	109.2985	0.000	2	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2818	0.145	8	109.2818	0.021	8	109.2989	0.035	23	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.2533	0.155	4	109.2533	0.024	4	109.2989	0.035	23	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4244	0.238	7	109.4244	0.057	7	109.2989	0.035	23	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:3:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1590	0.072	4	109.1590	0.005	4	109.2989	0.035	23	109.1203	0.639	980	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	B[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](B[5,6]C[5,6a]2P[6])(C[6]C[6]C)(H)2	C[6](C[6]B[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]B[5,6]C[6]H)	C[6](B[5,6]C[5,6a]2P[6])(C[6]C[6]C)(H)2{4|C<3>,4|C<4>}	C[6](C[6]B[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|C<3>,2|H<1>}	H(C[6]B[5,6]C[6]H)	106.8695	0.029	2	106.8695	0.001	2	106.8695	0.001	2	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]C)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[3,6]C[6]H)	108.7780	0.123	4	108.7780	0.015	4	108.7780	0.015	4	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(CCHH)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.7840	0.000	1	108.7840	0.000	1	108.7840	0.000	1	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]C)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]C)(Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(CH3){1|N<2>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]Cl)	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.7565	0.036	2	108.7565	0.001	2	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|Fe<10>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.0585	5.658	2	108.0585	32.008	2	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.2575	0.022	2	108.2575	0.000	2	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6298	0.261	4	109.6298	0.068	4	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3153	0.147	3	109.0142	0.228	9	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.7100	0.008	2	109.0142	0.228	9	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5100	0.059	2	109.0142	0.228	9	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.3710	0.008	2	109.0142	0.228	9	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]HH){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.5075	0.033	2	109.5075	0.001	2	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.4767	0.024	4	108.3898	0.019	6	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.2160	0.017	2	108.3898	0.019	6	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.7512	0.057	4	108.7512	0.003	4	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	108.5305	0.060	2	108.5305	0.004	2	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.4380	0.031	2	108.4380	0.001	2	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	110.3100	2.852	2	110.3100	8.137	2	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CClHH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CClHH){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.4175	1.418	4	108.4175	2.011	4	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	108.2805	1.454	6	108.2805	2.115	6	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3045	0.223	4	109.3045	0.050	4	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.7600	0.016	2	108.7975	0.002	4	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2{3|C<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8350	0.034	2	108.7975	0.002	4	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]P[5,6]S[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]P[5,6]S[5]H)(C[6]C[6]C)(H)2{1|S<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,1|S<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9120	0.034	2	108.9120	0.001	2	108.8122	1.324	57	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Si)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Si)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(SiC3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7655	0.026	2	109.7655	0.001	2	109.7655	0.001	2	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2030	0.116	3	109.2030	0.013	3	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2{1|N<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(CH3){1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.0910	0.126	2	108.0910	0.016	2	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	108.7680	0.250	3	108.7680	0.063	3	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2923	0.046	3	109.2923	0.002	3	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9245	1.894	2	108.9245	3.589	2	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2{1|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7185	0.025	2	108.7185	0.001	2	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	106.1160	0.537	2	106.1160	0.289	2	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9840	0.033	2	108.9840	0.001	2	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5985	0.046	2	108.6655	0.007	4	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7325	0.009	2	108.6655	0.007	4	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6655	0.008	2	108.6655	0.000	2	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|B<4>,1|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5755	0.118	4	108.4830	0.017	10	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.2670	0.000	1	108.4830	0.017	10	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5500	0.000	1	108.4830	0.017	10	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.4278	0.057	4	108.4830	0.017	10	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8375	0.036	2	108.5949	0.024	14	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.4507	0.039	4	108.5949	0.024	14	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.5015	0.023	4	108.5949	0.024	14	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7545	0.028	2	108.5949	0.024	14	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6680	0.006	2	108.5949	0.024	14	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1325	0.025	2	109.1325	0.001	2	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8785	0.013	2	109.1436	0.051	20	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2241	0.241	11	109.1436	0.051	20	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]C[6]H)	109.0810	0.000	1	109.1436	0.051	20	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1552	0.194	4	109.1436	0.051	20	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9735	0.033	2	109.1436	0.051	20	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CHHO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CHHO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.3670	0.047	2	108.3670	0.002	2	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8050	0.030	2	108.8050	0.001	2	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]2Si[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]2Si[6])(C[6]C[6]C)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6775	0.030	2	108.6775	0.001	2	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	108.8905	0.191	15	108.8905	0.036	15	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5790	0.024	2	109.5790	0.001	2	108.7868	0.309	94	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:P-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]P)(H)2	C[6](C[6]C[6,6]HH)(C[6]B[6]H)(PC3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]P)(H)2{1|B<4>,2|C<3>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[6]B[6]H)(PC3){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0565	0.956	4	109.0565	0.913	4	109.0565	0.913	4	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Si-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Si)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Si)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3){1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.7083	0.108	4	108.7083	0.012	4	108.7083	0.012	4	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH)	H(C[6]C[6]2Br)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	H(C[6]C[6]2Br)	108.5585	0.070	2	108.5585	0.005	2	108.5585	0.005	2	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5]C[6])(H)2	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]C)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]C)(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.4690	0.626	8	108.4690	0.392	8	108.4690	0.392	8	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CBrHH)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0500	0.120	3	109.0500	0.014	3	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.1137	0.951	4	108.1137	0.904	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6125	0.046	2	108.6125	0.002	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8025	0.025	2	108.8858	0.010	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.9690	0.021	2	108.8858	0.010	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9670	0.072	2	108.9670	0.005	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2{2|Fe<10>,2|O<1>,6|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.5267	0.054	4	107.4998	0.004	6	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2{2|Fe<10>,6|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.4460	0.011	2	107.4998	0.004	6	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3820	0.028	3	108.3820	0.001	3	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9355	0.008	2	108.9355	0.000	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9805	0.008	2	108.9805	0.000	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8580	0.998	2	109.8580	0.997	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9345	0.012	2	108.9345	0.000	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8107	0.293	3	108.8107	0.086	3	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.4720	0.021	2	109.2510	7.701	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.0820	0.035	2	109.2510	7.701	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|H<1>,2|C<2>,2|C<4>}	H(C[6]C[6]2H)	112.1215	4.772	2	109.2510	7.701	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.3285	3.000	2	109.2510	7.701	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.4575	0.016	2	108.4010	0.078	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.5055	0.018	2	108.4010	0.078	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.3205	0.404	4	108.4010	0.078	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]H)(CH3){3|C<4>}	H(C[6]C[6]2H)	109.1245	0.022	2	109.1245	0.000	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5890	0.006	2	108.5890	0.000	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1848	3.783	4	109.1848	14.313	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6535	0.069	2	108.8126	0.111	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2550	0.470	2	108.8126	0.111	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7540	0.011	2	108.8126	0.111	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.5880	0.038	2	108.8126	0.111	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2990	0.088	2	109.2990	0.008	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.3750	0.000	1	108.5590	0.026	3	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6510	0.016	2	108.5590	0.026	3	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.2905	0.166	2	109.2905	0.028	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9430	0.167	8	108.9430	0.028	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9070	0.030	2	108.9070	0.001	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.7883	0.097	15	108.5569	0.645	29	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6990	0.027	2	108.5569	0.645	29	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.9571	1.360	8	108.5569	0.645	29	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1875	0.670	2	108.5569	0.645	29	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4485	0.047	2	108.5569	0.645	29	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1245	5.378	2	108.1245	28.918	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3180	0.031	2	109.3222	0.007	6	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CRuCH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3243	0.107	4	109.3222	0.007	6	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0515	0.046	2	109.0515	0.002	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.8005	0.049	2	108.8647	0.061	11	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4905	0.022	2	108.8647	0.061	11	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0926	0.070	5	108.8647	0.061	11	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7335	0.018	2	108.8647	0.061	11	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1583	0.026	6	109.0137	0.051	19	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9492	0.271	11	109.0137	0.051	19	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9350	0.018	2	109.0137	0.051	19	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6425	0.037	2	108.6425	0.001	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1970	0.007	2	109.1115	0.010	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0260	0.038	2	109.1115	0.010	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.0303	0.046	3	108.0303	0.002	3	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4330	0.000	1	108.8697	0.238	3	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5880	0.010	2	108.8697	0.238	3	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0840	0.000	1	109.0840	0.000	1	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3312	0.054	4	109.3312	0.003	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1710	1.141	2	108.9951	0.297	34	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5810	0.490	4	108.9951	0.297	34	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.0750	0.065	4	108.9951	0.297	34	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.5980	0.006	2	108.9951	0.297	34	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1640	0.023	2	108.9951	0.297	34	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2665	0.022	2	108.9951	0.297	34	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	108.9677	0.217	4	108.9951	0.297	34	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3235	0.042	2	108.9951	0.297	34	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3390	0.013	2	108.9951	0.297	34	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8135	0.047	2	108.9951	0.297	34	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7482	0.384	8	108.9951	0.297	34	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3000	0.024	2	109.3000	0.001	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5370	0.407	2	108.5370	0.166	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2300	0.000	1	109.2300	0.000	1	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]CH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]CH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7630	0.061	2	108.7630	0.004	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CRuCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CRuCC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2615	0.016	2	109.2615	0.000	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CRuCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CRuCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.7745	0.022	2	108.7745	0.000	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	109.0540	0.000	1	108.6933	0.098	3	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.5130	0.004	2	108.6933	0.098	3	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0538	0.052	4	109.0538	0.003	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.8339	0.132	17	108.8339	0.018	17	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7808	0.019	6	109.7808	0.000	6	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	109.0645	0.008	2	108.8575	0.058	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.6505	0.060	2	108.8575	0.058	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HfN)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HfN)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Hf<11>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.1595	0.155	8	108.1595	0.024	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]N[5]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]C)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	107.4635	1.044	8	107.4635	1.091	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3){1|C<4>,1|S<4>,2|O<2>}	H(C[6]C[6]2H)	108.1420	0.016	2	108.1420	0.000	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.8212	0.172	4	109.8212	0.029	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]PdH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]PdH)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|Pd<5>,1|C<4>,1|C<6>,2|H<1>}	H(C[6]C[6]2H)	108.5550	0.028	2	108.5605	0.010	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]PdH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]PdH)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|Pd<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5660	0.170	2	108.5605	0.010	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]S[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]S[6]C)(C[6]C[6]C)(H)2{1|Pt<4>,1|S<3>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.0245	0.087	2	107.0245	0.008	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){1|Si<3>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	108.9540	0.018	2	108.9540	0.000	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]ZrN)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]ZrN)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Zr<11>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.1394	0.077	8	108.1394	0.006	8	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]ZrO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]ZrO)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Zr<14>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.7214	0.115	7	108.7214	0.013	7	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	108.5913	0.017	3	108.5913	0.000	3	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7578	0.277	4	108.7578	0.077	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.4310	0.014	2	109.4310	0.000	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.7956	0.146	8	108.8575	0.033	15	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8260	0.154	3	108.8575	0.033	15	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	109.1930	0.017	2	108.8575	0.033	15	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	108.8165	0.018	2	108.8575	0.033	15	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.1745	0.021	2	109.1745	0.000	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	111.6465	3.560	2	111.6465	12.676	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1067	0.091	4	109.1067	0.008	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1100	0.028	2	109.1100	0.001	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.1775	0.050	4	109.1775	0.002	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]HH)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]HH){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	107.5760	0.072	2	107.5760	0.005	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|Ru<8>,1|Ru<9>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|Ru<9>,1|C<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	109.8550	2.814	2	109.8550	7.920	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.7150	0.000	1	109.7150	0.000	1	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	108.4927	1.703	6	108.4927	2.899	6	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.3890	0.025	2	109.3890	0.001	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]P[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]P[6]CH)(C[6]C[6]C)(H)2{1|W<6>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	108.2035	0.013	2	108.2035	0.000	2	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]Si[6]SiN)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2H)	C[6](C[6]Si[6]SiN)(C[6]C[6]C)(H)2{1|Si<4>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|Si<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	106.9403	0.264	4	106.9403	0.070	4	108.7815	0.906	351	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2{1|C<4>,1|N<3>,1|N<4>,3|C<3>}	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0500	0.232	4	109.0446	0.024	8	109.0466	0.018	10	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2{1|C<4>,2|N<3>,3|C<3>}	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.0393	0.028	4	109.0446	0.024	8	109.0466	0.018	10	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6,6a]N)(C[6]C[6]HH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2{1|C<4>,2|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6,6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.0545	0.015	2	109.0545	0.000	2	109.0466	0.018	10	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:P-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(PCOO)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]P)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(PCOO){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6365	0.028	2	109.6365	0.001	2	109.6365	0.001	2	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.0095	0.029	2	109.0095	0.001	2	109.3258	0.069	6	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5165	0.045	2	109.5165	0.002	2	109.3258	0.069	6	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]S)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(SC[6a]OO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]S)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4515	0.199	2	109.4515	0.039	2	109.3258	0.069	6	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	111.1685	0.032	2	111.1685	0.001	2	111.1685	0.001	2	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	H(C[6]Ge[3,6]C[6]H)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Br<1>,2|Si<4>,2|C<4>}	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	H(C[6]Ge[3,6]C[6]H)	109.5780	0.035	4	108.7288	0.400	12	108.7288	0.400	12	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	H(C[6]Ge[3,6]C[6]H)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Cl<1>,2|Si<4>,2|C<4>}	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	H(C[6]Ge[3,6]C[6]H)	108.3272	0.104	4	108.7288	0.400	12	108.7288	0.400	12	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	H(C[6]Ge[3,6]C[6]H)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{2|Si<4>,1|I<1>,2|C<4>}	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	H(C[6]Ge[3,6]C[6]H)	108.2812	0.111	4	108.7288	0.400	12	108.7288	0.400	12	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[4,6]P[4,6]C[4]W)(C[6]C[6]C)(H)2	C[6](C[6]P[4,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[4,6]C[6]H)	C[6](P[4,6]P[4,6]C[4]W)(C[6]C[6]C)(H)2{1|W<6>,2|H<1>,3|C<4>}	C[6](C[6]P[4,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	H(C[6]P[4,6]C[6]H)	108.1942	0.180	6	108.1942	0.032	6	108.1942	0.032	6	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[5,6]C[5,6]O[5]S)(C[6]C[6]C)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]C[5,6]O[5]S)(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<2>,1|S<1>,2|H<1>}	H(C[6]P[5,6]C[6]H)	109.3295	0.008	2	109.3295	0.000	2	109.7620	0.070	9	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[5,6]C[5,6a]C[5,6]S)(C[6]C[6]C)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]C[5,6a]C[5,6]S)(C[6]C[6]C)(H)2{1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(C[6]P[5,6]C[6]H)	109.7280	0.007	2	109.7280	0.000	2	109.7620	0.070	9	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[5,6]C[5]2N[6])(C[6]C[6]C)(H)2	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]C[5]2N[6])(C[6]C[6]C)(H)2{1|Si<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|N<3>,2|C<4>,2|H<1>}	H(C[6]P[5,6]C[6]H)	109.9486	0.053	5	109.9486	0.003	5	109.7620	0.070	9	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6,6]As[6,6]C[6]W)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]As[6,6]C[6]W)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|As<3>,1|C<4>,1|W<6>,2|H<1>}	H(C[6]P[6,6]C[6]H)	109.2530	0.256	4	109.2530	0.066	4	108.9167	0.580	84	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]Mo)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]Mo)(C[6]C[6]C)(H)2{1|Mo<6>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,1|C<4>,1|P<4>,2|H<1>}	H(C[6]P[6,6]C[6]H)	108.9295	0.498	28	108.9295	0.248	28	108.9167	0.580	84	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]N)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]N)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|P<4>,2|H<1>}	H(C[6]P[6,6]C[6]H)	109.3107	0.284	12	109.3107	0.081	12	108.9167	0.580	84	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]Ni)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]Ni)(C[6]C[6]C)(H)2{1|Ni<4>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|Ni<4>,1|C<4>,1|P<4>,2|H<1>}	H(C[6]P[6,6]C[6]H)	108.1042	0.191	16	108.1042	0.036	16	108.9167	0.580	84	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,1|P<4>,2|H<1>}	H(C[6]P[6,6]C[6]H)	110.1412	0.042	4	109.8421	0.153	8	108.9167	0.580	84	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,1|P<3>,2|H<1>}	H(C[6]P[6,6]C[6]H)	109.5430	0.341	4	109.8421	0.153	8	108.9167	0.580	84	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]S)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]S)(C[6]C[6]C)(H)2{1|C<3>,1|S<1>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|S<1>,2|H<1>}	H(C[6]P[6,6]C[6]H)	109.7358	0.208	6	109.7358	0.043	6	108.9167	0.580	84	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]C)(H)2{1|C<3>,1|W<6>,2|H<1>,3|C<4>}	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	H(C[6]P[6,6]C[6]H)	108.8310	0.517	8	108.8310	0.267	8	108.9167	0.580	84	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]C)(H)2	C[6](C[6]P[6,6]HH)(C[6]C[6]H)(CH3)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]C)(H)2{1|C<3>,1|W<6>,2|C<4>,3|H<1>}	C[6](C[6]P[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	H(C[6]P[6,6]C[6]H)	106.3870	0.113	2	106.3870	0.013	2	108.9167	0.580	84	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6]B[5,6]CC)(C[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]P[6]H)	C[6](P[6]B[5,6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6]P[6]H)	108.4720	0.033	2	108.4720	0.001	2	108.7265	0.628	19	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6]B[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]P[6]H)	C[6](P[6]B[6]CC)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3){1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6]P[6]H)	108.5160	0.025	2	108.5160	0.001	2	108.7265	0.628	19	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6]C[6]CW)(C[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6]CW)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|W<6>,2|C<4>,2|H<1>}	H(C[6]C[6]P[6]H)	108.9455	0.011	2	108.9455	0.000	2	108.7265	0.628	19	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6]C[6a]2B[6])(C[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2B[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3){1|B<4>,2|C<3>,2|H<1>}	H(C[6]C[6]P[6]H)	109.1723	1.440	3	109.1723	2.073	3	108.7265	0.628	19	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6]C[6a]C[6]O)(C[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(CH3)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]O)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|P<4>}	H(C[6]C[6]P[6]H)	109.6195	0.040	2	109.6195	0.002	2	108.7265	0.628	19	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6]C[6a]S[6]W)(C[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]S[6]W)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|S<2>,1|W<6>,2|H<1>}	H(C[6]C[6]P[6]H)	109.5135	0.013	2	109.5135	0.000	2	108.7265	0.628	19	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6]N[6]2Mo)(C[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]P[6]H)	C[6](P[6]N[6]2Mo)(C[6]C[6]C)(H)2{1|P<3>,1|P<4>,3|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,2|H<1>,2|N<3>}	H(C[6]C[6]P[6]H)	108.1902	0.211	4	108.0257	0.092	6	108.7265	0.628	19	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6]N[6]2Mo)(C[6]C[6]C)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]P[6]H)	C[6](P[6]N[6]2Mo)(C[6]C[6]C)(H)2{2|P<4>,3|C<4>}	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,2|H<1>,2|N<3>}	H(C[6]C[6]P[6]H)	107.6965	0.025	2	108.0257	0.092	6	108.7265	0.628	19	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	S[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](S[6]C[6]OO)(C[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6]OO)(C[6]C[6]C)(H)2{4|C<4>}	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]S[6]H)	108.8760	0.329	4	108.8760	0.108	4	108.8760	0.108	4	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	Si[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](Si[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2{2|C<4>,4|C<3>}	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]Si[6]C[6]H)	110.7820	0.044	2	110.7820	0.002	2	109.1443	1.689	6	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:3:4:	4:	Si[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](Si[6]C[6]SiO)(C[6]C[6]C)(H)2	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]SiO)(C[6]C[6]C)(H)2{1|Si<4>,1|N<3>,2|C<4>}	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3){1|Si<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]Si[6]C[6]H)	108.3255	0.363	4	108.3255	0.132	4	109.1443	1.689	6	108.8217	0.779	691	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]O)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]O)(H)2{4|C<4>,5|H<1>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[3,5,6]C[6]H)	110.0170	0.000	1	110.0170	0.000	1	110.0170	0.000	1	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6,6]O)(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[3,6]HH)(O)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6,6]O)(H)2{1|Cl<1>,2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[3,6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	108.3560	0.033	2	108.3560	0.001	2	108.3560	0.001	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6]HH)(O)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6]HH)(O){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[3,6]C[6]H)	108.4795	0.177	4	108.4795	0.031	4	108.4795	0.031	4	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HW)(O)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(H)2{1|C<4>,1|W<7>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HW)(O){1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	108.3880	0.057	2	108.3880	0.003	2	108.3880	0.003	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[3x6]HH)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[5,6]O)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[3x6]HH)(O){1|C<3>,1|N<4>,2|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	107.9580	0.010	2	107.9580	0.000	2	107.9580	0.000	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.4370	0.054	2	106.9821	4.965	14	107.6765	3.512	29	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.3575	0.050	2	106.9821	4.965	14	107.6765	3.512	29	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	107.8955	0.019	2	106.9821	4.965	14	107.6765	3.512	29	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|S<4>,4|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	106.0463	2.615	8	106.9821	4.965	14	107.6765	3.512	29	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	108.9137	0.088	4	108.9137	0.008	4	107.6765	3.512	29	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)2(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]C)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)2(O){1|N<3>,4|C<4>}	H(C[6]C[3x6]C[6]H)	107.3690	2.944	2	107.3690	8.669	2	107.6765	3.512	29	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	108.7145	0.008	2	108.1312	0.471	4	107.6765	3.512	29	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	107.5480	0.229	2	108.1312	0.471	4	107.6765	3.512	29	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3x6]C[4x6]N[6,6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)2(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]N[6,6]C)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)2(O){1|N<3>,4|C<4>}	H(C[6]C[3x6]C[6]H)	107.6020	2.271	2	107.6020	5.158	2	107.6765	3.512	29	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	108.9153	0.068	3	108.9153	0.005	3	107.6765	3.512	29	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]H)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	109.4400	0.058	2	109.4400	0.003	2	109.4400	0.003	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6,6]CC)(O)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6,6]CC)(O){2|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]H)	109.7500	0.000	1	109.7500	0.000	1	109.1010	0.132	5	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HW)(O)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H)2{1|O<2>,1|W<7>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HW)(O){2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	108.9387	0.018	4	108.9387	0.000	4	109.1010	0.132	5	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[4x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]O)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(O)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]O)(H)2{4|H<1>,5|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4x6]C[6]H)	109.2705	0.012	2	109.2705	0.000	2	109.2705	0.000	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(O)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2{1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(O){1|C<3>,7|C<4>}	H(C[6]C[5,3x6]C[6]H)	108.8130	0.000	1	109.1687	0.095	3	109.1687	0.095	3	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(O)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2{5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(O){2|C<3>,6|C<4>}	H(C[6]C[5,3x6]C[6]H)	109.3465	0.021	2	109.1687	0.095	3	109.1687	0.095	3	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,5,3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(O)	H(C[6]C[5,5,3x6]C[6]H)	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]O)(H)2{1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(O){5|C<4>}	H(C[6]C[5,5,3x6]C[6]H)	108.5490	0.414	4	108.5490	0.172	4	108.5490	0.172	4	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[3,6]O)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[5,5,6]HH)(O)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[3,6]O)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[5,5,6]HH)(O){2|H<1>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,5,6]HH)(O)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,5,6]HH)(O){2|C<3>,6|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.6809	0.267	10	109.5933	0.100	12	109.5933	0.100	12	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,5,6]HH)(O)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|H<1>,2|C<3>,3|O<2>,4|C<4>}	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,5,6]HH)(O){2|C<3>,6|C<4>}	H(C[6]C[5,5,6]C[6]H)	109.1555	0.009	2	109.5933	0.100	12	109.5933	0.100	12	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,5,6]HH)(O)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,5,6]HH)(O){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	110.0153	0.111	4	110.0153	0.012	4	110.0153	0.012	4	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]CH)(O)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	108.6045	0.032	2	108.6045	0.001	2	107.8896	3.300	19	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]O)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(O)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]O)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(O){5|C<4>}	H(C[6]C[5,5,6]C[6]H)	107.7298	0.166	13	107.7298	0.027	13	107.8896	3.300	19	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(O)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(O){1|H<1>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	108.0515	4.382	4	108.0515	19.205	4	107.8896	3.300	19	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[5,6]O)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(O){2|C<3>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.8910	0.059	2	108.8910	0.004	2	108.8910	0.004	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2{1|O<1>,2|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.1750	0.000	1	109.1750	0.000	1	109.0653	0.009	3	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(O){1|C<3>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0105	0.012	2	109.0105	0.000	2	109.0653	0.009	3	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(O){5|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.0715	0.597	4	108.0715	0.356	4	108.5705	0.503	17	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[6,6]C[5])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[6,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(O){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6,6]C[6]H)	109.8820	0.013	2	109.8820	0.000	2	108.5705	0.503	17	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	108.0645	0.029	2	108.1118	0.048	6	108.5705	0.503	17	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.3770	0.024	2	108.1118	0.048	6	108.5705	0.503	17	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|Si<4>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	107.8940	0.011	2	108.1118	0.048	6	108.5705	0.503	17	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]O)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	109.1560	0.027	2	109.1560	0.001	2	108.5705	0.503	17	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	108.7980	0.027	2	108.7980	0.001	2	108.5705	0.503	17	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	109.0700	0.000	1	109.0700	0.000	1	108.5705	0.503	17	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:H-1:I-1:	C[3,5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[3,5,6]O)(H)(I)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[5,6,6]HI)(O)	H(C[6]C[5,6,6]C[6]I)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[3,5,6]O)(H)(I){1|H<1>,1|O<1>,8|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[5,6,6]HI)(O){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]I)	106.7650	0.000	1	106.7650	0.000	1	106.7650	0.000	1	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[3x5,6]C[5,6a]H)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[5,6]BrH)2(O)	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[3x5,6]C[5,6a]H)(C[6]C[6]O)(Br)(H){1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]BrH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]Br)	108.1560	0.288	2	108.1560	0.083	2	108.1560	0.083	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(F)(H)	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]F)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(F)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]F)	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[3,6,6]O)(H)2	C[6](C[3,6,6]C[3,3x6]C[6,6]C[3])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[3,6,6]O)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[6](C[3,6,6]C[3,3x6]C[6,6]C[3])(C[6]C[5,6]HH)(O){1|Br<1>,2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.9265	0.035	2	108.9265	0.001	2	108.9265	0.001	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[3,6]O)(H)2	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[3,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[5,6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9985	0.022	2	108.9985	0.000	2	108.9985	0.000	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]O)(H)2	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]O)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[5,6]HH)(O){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	110.0815	0.030	2	110.0815	0.001	2	110.0815	0.001	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]O)(H)2	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(O){1|H<1>,8|C<4>}	H(C[6]C[5,6]C[6]H)	109.8037	0.180	3	109.8037	0.033	3	109.8037	0.033	3	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.2165	0.008	2	109.4411	0.056	18	109.4411	0.056	18	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.3731	0.210	11	109.4411	0.056	18	109.4411	0.056	18	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O){2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.7343	0.067	4	109.4411	0.056	18	109.4411	0.056	18	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|O<2>,5|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(O){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.4660	0.000	1	109.4411	0.056	18	109.4411	0.056	18	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6,6]O)(H)2	C[6](C[5,6,6]C[6,6a]C[5,6]O[5,6])(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[6,6a]C[5,6]O[5,6])(C[6]C[5,6]HH)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.4015	0.042	2	108.4015	0.002	2	108.9395	2.919	23	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(O){2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	108.5355	0.019	2	108.5355	0.000	2	108.9395	2.919	23	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.9785	0.049	4	109.9785	0.002	4	108.9395	2.919	23	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	107.4775	0.028	2	107.4775	0.001	2	108.9395	2.919	23	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]O)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2160	0.038	2	109.2160	0.001	2	108.9395	2.919	23	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.8520	0.021	2	108.8401	7.744	8	108.9395	2.919	23	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	108.5028	3.209	6	108.8401	7.744	8	108.9395	2.919	23	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[5,6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	109.2377	0.060	3	109.2377	0.004	3	108.9395	2.919	23	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6,6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H){1|O<2>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.3245	0.063	2	109.3245	0.004	2	109.3245	0.004	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2{1|O<2>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.8430	0.066	2	109.8430	0.004	2	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.8520	0.030	2	109.8520	0.001	2	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]O[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,3x6]O[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[5,6]HH)(O){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8165	0.019	2	108.8165	0.000	2	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(O){1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.8740	0.159	4	109.8740	0.025	4	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.9490	0.016	2	109.6574	0.079	5	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	109.4630	0.125	3	109.6574	0.079	5	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)(H)2{1|O<2>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	110.2150	0.017	2	110.2150	0.000	2	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.8480	0.054	2	109.8480	0.003	2	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[5,6]HH)(O){2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	108.6755	0.021	2	108.6755	0.000	2	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5182	0.213	6	109.5182	0.045	6	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.7196	0.160	9	109.7477	0.024	15	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|O<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.7597	0.180	4	109.7477	0.024	15	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.8505	0.012	2	109.7477	0.024	15	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(O){1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.7990	0.017	2	109.7990	0.000	2	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|F<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(O){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	110.2912	0.210	4	110.2912	0.044	4	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.8921	0.284	8	109.4068	2.502	21	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	109.9958	0.187	4	109.4068	2.502	21	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	109.9575	0.029	2	109.4068	2.502	21	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.5012	0.141	5	109.4068	2.502	21	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(O){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	105.5005	3.853	2	109.4068	2.502	21	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	107.6691	0.977	8	107.6691	0.955	8	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	109.7130	0.038	2	109.7130	0.001	2	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.4020	0.013	2	110.1707	0.301	6	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	110.0550	0.669	4	110.1707	0.301	6	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6167	0.018	4	109.6167	0.000	4	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]N[5,6]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]N[5,6]H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	107.2410	1.492	2	107.2410	2.226	2	109.4359	1.217	91	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.1650	0.037	2	109.1650	0.001	2	111.5720	8.510	4	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]H)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	113.9790	1.534	2	113.9790	2.354	2	111.5720	8.510	4	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)(H)2{2|C<3>,6|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.1123	0.071	4	110.1123	0.005	4	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6655	0.039	2	109.6655	0.002	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9740	0.000	1	108.9740	0.000	1	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)2(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)2(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8035	0.025	2	108.8035	0.001	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)2(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)2(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8870	0.028	2	108.8870	0.001	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]O)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.6025	0.026	2	108.6025	0.001	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,3|H<1>,6|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.0395	0.012	2	109.0395	0.000	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.5000	0.000	1	108.5000	0.000	1	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O){1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.7507	0.190	3	108.9639	0.052	7	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O){1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.1238	0.036	4	108.9639	0.052	7	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(H)2{1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O){1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.0150	0.000	1	109.0150	0.000	1	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(O){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4430	0.018	2	109.4430	0.000	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]2O)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.3200	0.000	1	109.3200	0.000	1	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]B[5]C[5])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]B[5]C[5])(C[6]C[6]O)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	106.2080	0.290	2	106.2080	0.084	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O){1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.3520	0.065	2	109.3520	0.004	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.8100	0.000	1	108.7343	0.392	6	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	108.9330	0.024	2	108.7343	0.392	6	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){5|C<4>}	H(C[6]C[5,6]C[6]H)	108.2433	0.026	3	108.7343	0.392	6	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(O){5|C<4>}	H(C[6]C[5,6]C[6]H)	108.9620	0.000	1	108.9620	0.000	1	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	107.4308	3.342	4	107.4308	11.168	4	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.9890	0.042	2	108.9890	0.002	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9245	0.009	2	109.3488	0.260	29	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7095	0.012	2	109.3488	0.260	29	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6538	0.477	11	109.3488	0.260	29	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.2065	0.012	2	109.3488	0.260	29	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.7090	0.089	4	109.3488	0.260	29	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.4910	0.010	2	109.3488	0.260	29	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	108.8113	0.091	4	109.3488	0.260	29	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.0900	0.011	2	109.3488	0.260	29	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O){1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.2760	0.365	4	109.4742	0.175	6	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]C[6]H)	109.8705	0.049	2	109.4742	0.175	6	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.1760	0.000	1	109.1760	0.000	1	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.8175	0.039	2	108.8175	0.002	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.5180	0.024	2	109.5180	0.001	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.6520	0.000	1	109.2412	0.053	5	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1590	0.004	2	109.2412	0.053	5	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1180	0.010	2	109.2412	0.053	5	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]O)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[5,6]C[6]H)	108.0140	0.008	2	108.0140	0.000	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2340	0.016	2	109.2340	0.000	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{6|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.0923	0.110	4	108.0923	0.012	4	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.2060	0.004	2	108.6730	2.602	4	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	108.1400	2.582	2	108.6730	2.602	4	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]C[6]H)	109.5070	0.367	4	109.5070	0.135	4	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6393	0.204	4	108.7213	0.041	6	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	108.8855	0.005	2	108.7213	0.041	6	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.3420	0.006	2	109.3420	0.000	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	109.1630	0.080	4	109.1630	0.006	4	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9245	0.021	2	108.9245	0.000	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.3450	0.028	2	108.5986	2.092	8	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.6832	1.701	6	108.5986	2.092	8	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	109.0655	6.090	2	109.0655	37.092	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.1175	0.011	2	109.1175	0.000	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	108.9301	0.684	9	108.9301	0.468	9	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3770	0.049	2	109.3770	0.002	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)2(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)2(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3468	0.159	6	109.3468	0.025	6	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.3305	0.046	2	109.3305	0.002	2	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.4263	0.257	3	109.4263	0.066	3	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.1110	0.008	2	109.2592	0.017	8	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.2420	0.041	2	109.2592	0.017	8	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.4520	0.013	2	109.2592	0.017	8	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.2320	0.007	2	109.2592	0.017	8	109.0346	0.992	161	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]BrH)(O)	H(C[6]C[6,6]C[6]Br)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Br)(H){1|Br<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]BrH)(C[6]C[6]BrH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]Br)	107.7895	0.022	2	107.7895	0.000	2	107.7895	0.000	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Cl)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Cl)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]Cl)	107.8990	0.008	2	107.8990	0.000	2	107.8990	0.000	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]O)(H)2	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]O)(H)2{2|H<1>,6|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(O){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6090	0.049	2	108.6090	0.002	2	108.6090	0.002	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]O)(H)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]O)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.5035	0.019	2	108.5035	0.000	2	108.5035	0.000	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]H)(H)2	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.7665	0.015	2	109.7665	0.000	2	109.7665	0.000	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[4x6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]O)(H)2	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]O)(H)2{8|C<4>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2205	0.015	2	109.2205	0.000	2	109.2205	0.000	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]O)(H)2	C[6](C[5,5,6]C[3x5]O[5,6]C[5])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]O)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,5,6]C[3x5]O[5,6]C[5])(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6985	0.026	4	108.6985	0.001	4	108.6985	0.001	4	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]O)(H)2	C[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]O)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6,6]HH)(O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	108.9772	0.292	4	108.9772	0.085	4	108.9772	0.085	4	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,3x6]C[5]Cl)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,3x6]C[5]Cl)(C[6]C[6,6]HH)(O){1|Cl<1>,1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.0205	0.052	2	108.0205	0.003	2	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6,6]HH)(O){1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6020	0.010	2	108.6020	0.000	2	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.1014	0.375	5	108.0443	0.103	7	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.9015	0.009	2	108.0443	0.103	7	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.0735	0.015	2	108.5397	0.131	6	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7728	0.030	4	108.5397	0.131	6	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6,6]HH)(O){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.2005	1.125	2	109.2005	1.266	2	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.6755	0.043	2	108.6755	0.002	2	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	106.7385	1.292	2	108.7731	1.104	14	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|C<3>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.5135	0.018	2	108.7731	1.104	14	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2320	0.491	10	108.7731	1.104	14	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	110.4795	0.136	2	110.4795	0.019	2	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(O){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1585	0.040	2	109.1585	0.002	2	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(H)2{3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0115	0.021	2	109.0115	0.000	2	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(O){1|N<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.1058	0.163	10	109.1058	0.027	10	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5900	0.000	1	109.5900	0.000	1	108.7945	0.603	52	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.9730	0.027	6	109.9730	0.001	6	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8135	0.015	2	108.6837	0.122	10	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O){1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.4260	0.462	4	108.6837	0.122	10	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6,6]HH)(O){1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.8765	0.065	4	108.6837	0.122	10	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5783	0.114	3	109.5783	0.013	3	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6]O)(H)2{8|C<4>}	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.7610	0.007	2	109.7610	0.000	2	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(O){2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3080	0.020	2	109.3080	0.000	2	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{2|C<3>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2245	0.023	2	109.2245	0.001	2	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1755	0.084	2	109.0783	0.139	11	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.0567	0.412	9	109.0783	0.139	11	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.0205	0.074	2	109.0205	0.006	2	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(O){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.1200	0.203	5	108.1200	0.041	5	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	108.9835	0.059	2	108.9835	0.003	2	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5920	0.000	1	109.5920	0.000	1	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[4,6]C[6,6]O)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[4,6]C[6,6]O)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.1480	0.006	2	109.1480	0.000	2	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.2660	0.028	2	108.2660	0.001	2	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.6648	2.066	10	109.9427	2.031	21	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	110.5845	0.186	2	109.9427	2.031	21	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	110.1088	0.205	9	109.9427	2.031	21	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<2>,1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	107.9870	0.005	4	107.1460	0.919	8	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	106.3050	0.508	4	107.1460	0.919	8	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	106.4320	0.389	2	108.4790	2.544	6	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.5025	0.012	4	108.4790	2.544	6	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4327	0.058	3	109.4327	0.003	3	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(O){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.2297	0.178	6	109.2297	0.032	6	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]O)(H)2{3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.3285	0.016	2	108.3285	0.000	2	109.0631	1.330	96	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(H){1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9352	0.129	4	108.9352	0.017	4	108.6818	0.257	10	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.2510	0.027	2	108.2510	0.001	2	108.6818	0.257	10	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]HH)2(H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(H){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.6437	0.736	4	108.6437	0.542	4	108.6818	0.257	10	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9000	0.049	2	108.0073	2.866	13	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.8450	1.803	11	108.0073	2.866	13	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(O){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.3020	0.140	3	108.3020	0.020	3	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7580	0.006	2	108.7580	0.000	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O){1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.5853	0.189	4	108.9203	0.108	10	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(O){1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	109.1437	0.150	6	108.9203	0.108	10	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8510	0.184	4	108.8510	0.034	4	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6,6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6,6a]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.4595	0.012	2	109.4595	0.000	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7790	0.045	2	108.7790	0.002	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.9925	0.032	2	108.9925	0.001	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]O)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2755	0.012	2	109.2755	0.000	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5a,6]CN)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]CN)(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8775	0.012	2	108.8775	0.000	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[5a,6]HN)(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.7030	0.000	1	108.7030	0.000	1	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	110.4320	0.062	2	110.4320	0.004	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(O){5|C<4>}	H(C[6]C[6,6]C[6]H)	108.7040	0.006	2	108.7040	0.000	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.3150	0.006	2	109.3150	0.000	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){5|C<4>}	H(C[6]C[6,6]C[6]H)	109.1397	0.038	4	109.1397	0.001	4	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(O){5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9885	0.053	4	108.9885	0.003	4	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.2345	0.126	4	107.5423	0.237	6	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{2|H<1>,6|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.1580	0.041	2	107.5423	0.237	6	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]ClS)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6,6]ClS)(C[6]C[6,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3530	0.006	2	109.3530	0.000	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.6552	3.578	4	107.6552	12.804	4	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.9258	2.390	6	108.6250	2.476	15	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.1470	0.394	3	108.6250	2.476	15	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8718	0.384	4	108.6250	2.476	15	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4460	0.045	2	108.6250	2.476	15	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)2(O){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.4070	0.000	1	108.4070	0.000	1	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.7385	0.071	2	108.6417	0.153	9	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0855	0.012	2	108.6417	0.153	9	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.5595	0.006	2	108.6417	0.153	9	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9190	0.000	1	108.6417	0.153	9	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.0445	0.008	2	108.6417	0.153	9	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	109.0940	0.203	4	109.0940	0.041	4	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0120	0.101	4	109.1548	0.055	6	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.4405	0.021	2	109.1548	0.055	6	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.7970	0.093	2	109.1507	0.250	7	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.5850	0.052	2	109.1507	0.250	7	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0970	0.046	3	109.1507	0.250	7	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.0500	0.000	1	108.8524	2.916	82	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2870	0.000	1	108.8524	2.916	82	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7665	0.195	4	108.8524	2.916	82	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.7076	1.211	14	108.8524	2.916	82	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5135	0.013	2	108.8524	2.916	82	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0370	0.000	1	108.8524	2.916	82	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.9497	0.930	15	108.8524	2.916	82	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1975	0.023	2	108.8524	2.916	82	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.8304	2.222	42	108.8524	2.916	82	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5215	0.018	2	108.9209	2.441	14	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1847	0.437	6	108.9209	2.441	14	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.8570	0.041	2	108.9209	2.441	14	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)2(O){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.8165	0.009	2	108.9209	2.441	14	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	106.6975	4.259	2	108.9209	2.441	14	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(O){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.2270	0.041	2	109.2270	0.002	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2055	0.035	2	109.2055	0.001	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	110.6975	2.128	2	109.8922	2.374	4	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0870	0.016	2	109.8922	2.374	4	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.6265	0.108	2	109.6265	0.012	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2897	0.415	4	109.2897	0.172	4	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.7205	0.238	2	109.7205	0.057	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1283	0.210	4	108.9442	0.202	5	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.2080	0.000	1	108.9442	0.202	5	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.2740	0.117	3	109.2740	0.014	3	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	107.7200	1.710	2	107.7200	2.923	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6075	0.026	2	108.6400	0.002	4	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	108.6725	0.022	2	108.6400	0.002	4	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1970	0.055	2	109.1433	0.010	3	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.0360	0.000	1	109.1433	0.010	3	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	106.6515	1.908	2	106.6515	3.642	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(O){1|N<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	108.6688	0.427	4	108.6688	0.182	4	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7111	0.334	11	108.7111	0.111	11	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2{1|N<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5345	0.063	2	109.5345	0.004	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.3680	0.013	2	109.3680	0.000	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	107.6490	1.665	4	107.6490	2.771	4	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.1855	0.036	2	108.1855	0.001	2	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8360	0.000	1	108.8360	0.000	1	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.5012	0.103	4	109.5012	0.011	4	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.6810	0.080	10	108.8083	0.050	14	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|Mo<7>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)2(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.2080	0.023	2	108.8083	0.050	14	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)2(O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.0450	0.059	2	108.8083	0.050	14	108.8017	1.665	286	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]BrH)(O)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(Br)(H){1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]BrH)(C[6]C[6]BrH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2Br)	106.8105	0.056	2	106.8105	0.003	2	107.3579	0.342	7	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(O)	H(C[6]C[6]2Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2Br)	107.8395	0.906	2	107.8395	0.820	2	107.3579	0.342	7	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)2(O)	H(C[6]C[6]2Br)	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]BrH)2(O){1|N<3>,4|C<4>}	H(C[6]C[6]2Br)	107.5660	0.000	1	107.4017	0.079	3	107.3579	0.342	7	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H)	C[6](C[6]C[6]BrH)2(O)	H(C[6]C[6]2Br)	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)2(O){1|N<3>,4|C<4>}	H(C[6]C[6]2Br)	107.3195	0.343	2	107.4017	0.079	3	107.3579	0.342	7	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Cl)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(O)	H(C[6]C[6]2Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Cl)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2Cl)	105.7040	0.000	1	105.7040	0.000	1	105.7040	0.000	1	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	B[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]B[6]H)(H)2	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]B[6]H)(H)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7510	0.021	2	108.7510	0.000	2	108.7510	0.000	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]O)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]O)(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.2802	0.047	4	108.2802	0.002	4	108.6116	0.332	14	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[3,6]O)(H)2	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[3,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8170	0.054	2	109.8170	0.003	2	108.6116	0.332	14	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[3,6]O)(H)2	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[3,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.0805	0.018	2	108.0805	0.000	2	108.6116	0.332	14	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2	C[6](C[3,6]C[3,6,6]C[3,6]S)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2{1|C<3>,1|S<4>,3|C<4>}	C[6](C[3,6]C[3,6,6]C[3,6]S)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5050	0.072	2	108.5050	0.005	2	108.6116	0.332	14	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2{1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9550	0.028	2	108.9550	0.001	2	108.6116	0.332	14	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3630	0.055	2	108.3630	0.003	2	108.6116	0.332	14	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[4,6]O)(H)2	C[6](C[4,6]C[4,6,6]C[4]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[4,6]O)(H)2{1|O<2>,4|C<4>}	C[6](C[4,6]C[4,6,6]C[4]C)(C[6]C[6]HH)(O){2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8790	0.340	6	108.8790	0.116	6	108.8790	0.116	6	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]SiH)(C[6]C[5,6,6]O)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6,6]O)(H)2{5|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.0385	0.047	2	108.0385	0.002	2	108.0385	0.002	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	109.2820	0.016	2	109.2820	0.000	2	109.2820	0.000	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6946	0.500	12	109.3114	1.804	18	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5450	2.128	6	109.3114	1.804	18	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.5327	1.240	4	108.5327	1.537	4	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4030	0.017	2	108.4030	0.000	2	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	108.4705	0.042	2	108.4705	0.002	2	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2160	0.031	2	108.7180	0.331	4	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.2200	0.025	2	108.7180	0.331	4	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6930	0.333	4	108.6930	0.111	4	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.2765	0.013	2	108.2093	0.014	3	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.0750	0.000	1	108.2093	0.014	3	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[3,5]O[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[3,5]O[5,6]H)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.8563	0.099	4	108.8563	0.010	4	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1265	0.363	4	108.5113	0.434	6	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2810	0.018	2	108.5113	0.434	6	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.8380	0.021	2	108.8380	0.000	2	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6355	0.045	2	108.6355	0.002	2	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2320	0.006	2	108.2320	0.000	2	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(O){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.4600	0.131	4	108.4600	0.017	4	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.5580	0.494	4	108.6312	0.129	8	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7045	0.207	4	108.6312	0.129	8	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.4170	1.164	4	107.5920	1.169	5	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	108.2920	0.000	1	107.5920	1.169	5	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0450	0.010	2	108.7996	0.101	5	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	108.4520	0.016	2	108.7996	0.101	5	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.0040	0.000	1	108.7996	0.101	5	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.5380	0.000	1	107.5380	0.000	1	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6]2H)	108.4170	0.000	1	108.4170	0.000	1	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HS)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HS)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4935	0.013	2	108.4935	0.000	2	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	109.1035	0.060	2	109.1035	0.004	2	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.8155	0.049	2	107.8155	0.002	2	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6480	0.008	2	109.6480	0.000	2	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2{2|C<3>,2|C<4>}	C[6](C[5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.6275	0.178	4	109.6275	0.032	4	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2{4|C<3>}	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	109.9430	0.860	2	109.9430	0.739	2	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5690	0.871	4	108.5690	0.759	4	108.7501	0.794	95	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5x6]HH)(C[6]C[6,6]H)(H)2	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5x6]HH)(C[6]C[6,6]H)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.6925	1.766	2	109.6925	3.118	2	109.0817	1.538	4	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)2	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)2{1|B<4>,2|C<4>,2|H<1>}	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	108.4710	0.075	2	108.4710	0.006	2	109.0817	1.538	4	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	H(C[6]C[6]2H)	107.9310	0.000	1	107.9310	0.000	1	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.0255	0.016	2	109.0255	0.000	2	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[5,6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.6555	0.005	2	108.6555	0.000	2	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(O){3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.5745	0.010	4	108.5745	0.000	4	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.0640	0.068	2	109.0640	0.005	2	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6475	1.530	4	108.6475	2.341	4	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8215	0.053	2	109.8215	0.003	2	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{2|O<2>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(O){1|C<4>,2|N<3>,8|H<1>}	H(C[6]C[6]2H)	109.0310	0.762	4	109.0310	0.581	4	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	106.5030	0.055	2	106.5030	0.003	2	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){2|H<1>,6|C<4>}	H(C[6]C[6]2H)	108.0970	0.000	1	108.0970	0.000	1	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8975	0.005	2	108.2827	0.504	4	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.6680	0.037	2	108.2827	0.504	4	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9370	0.163	4	108.9370	0.027	4	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|O<2>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9795	0.186	4	108.9795	0.035	4	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.9690	0.652	2	108.5206	1.960	10	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.2130	1.202	2	108.5206	1.960	10	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.9080	0.033	2	108.5206	1.960	10	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.7565	2.194	4	108.5206	1.960	10	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5702	0.861	6	108.5702	0.742	6	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	107.7290	0.666	2	107.7290	0.444	2	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.3565	1.978	4	110.3565	3.911	4	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4317	0.109	3	108.4317	0.012	3	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]N[5a]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N[5a]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|N<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.8315	0.052	2	107.8315	0.003	2	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]O)(H)2{1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	H(C[6]C[6]2H)	108.8300	0.041	2	108.8300	0.002	2	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.6925	0.016	2	107.5715	3.205	4	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(O){1|Si<4>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.4505	2.142	2	107.5715	3.205	4	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	109.2900	0.000	1	109.2900	0.000	1	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6,6]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6,6]O)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	108.9905	0.016	2	108.9905	0.000	2	108.6342	1.258	72	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4480	0.000	1	108.4127	18.260	3	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	107.8950	5.909	2	108.4127	18.260	3	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3260	0.033	2	109.3260	0.001	2	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(H){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.1440	0.205	4	107.8498	1.221	6	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2615	0.006	2	107.8498	1.221	6	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<5>,2|C<4>,2|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|B<6>,5|H<1>}	H(C[6]C[6]2H)	109.2360	0.016	2	109.2360	0.000	2	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9700	0.829	2	109.7077	0.550	3	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1830	0.000	1	109.7077	0.550	3	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	106.2825	2.910	4	106.2825	8.465	4	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7081	4.063	8	109.7081	16.508	8	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.7310	0.027	2	109.8063	11.381	32	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.3290	0.628	4	109.8063	11.381	32	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	115.9625	2.706	2	109.8063	11.381	32	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.4985	1.036	8	109.8063	11.381	32	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	105.1172	11.445	2	109.8063	11.381	32	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	108.9950	0.506	4	109.8063	11.381	32	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5542	3.160	8	109.8063	11.381	32	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H){1|Sn<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.2305	0.136	2	109.8063	11.381	32	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HfN)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Hf<8>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HfN)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2305	0.043	2	109.2305	0.002	2	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Pd<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.1650	0.952	2	107.1650	0.906	2	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.5140	0.089	2	108.8750	13.618	12	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	115.8730	3.545	2	108.8750	13.618	12	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<4>,2|H<1>,2|N<4>}	H(C[6]C[6]2H)	106.9657	1.152	8	108.8750	13.618	12	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	112.2510	3.148	4	112.2510	9.911	4	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)2(H){1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	107.8835	2.447	2	107.8835	5.989	2	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]SnH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)2(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SnH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(H){1|Sn<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5965	0.032	2	108.5965	0.001	2	109.2433	10.075	84	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3289	0.417	12	109.3289	0.174	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2990	0.057	3	109.2990	0.003	3	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4025	0.008	2	108.4025	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	108.8060	0.013	2	108.8060	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8950	0.011	2	108.8950	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]C)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3470	0.013	2	109.3470	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4030	0.035	2	108.6542	0.951	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.9055	0.781	2	108.6542	0.951	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9915	0.050	2	108.9915	0.003	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7340	0.022	4	108.7340	0.000	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0415	0.028	2	109.8748	0.037	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7080	0.017	2	109.8748	0.037	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.5035	0.009	2	109.5035	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1035	0.009	2	109.1035	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8120	0.024	2	108.8120	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7643	0.362	4	109.3271	0.305	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6605	0.012	2	109.3271	0.305	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1195	0.005	2	109.3271	0.305	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	109.3370	0.006	2	109.3370	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5995	0.033	2	108.5995	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2019	0.237	7	109.2019	0.056	7	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5085	0.033	2	109.1792	0.374	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.8735	0.008	2	109.1792	0.374	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	109.1555	0.039	2	109.1792	0.374	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5010	0.000	1	108.5010	0.000	1	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6325	0.229	4	108.8896	0.259	19	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.5780	0.141	3	108.8896	0.259	19	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7199	0.384	12	108.8896	0.259	19	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.5795	0.019	2	108.5795	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5630	0.004	2	107.9044	1.133	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	106.2800	0.604	2	107.9044	1.133	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.3872	0.404	4	107.9044	1.133	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8940	0.023	2	106.6405	6.800	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	104.3870	0.294	2	106.6405	6.800	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.7185	0.033	2	108.7185	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3240	0.023	2	108.8229	0.620	31	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	107.6630	2.458	2	108.8229	0.620	31	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2295	0.030	2	108.8229	0.620	31	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6149	0.283	8	108.8229	0.620	31	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7272	0.432	4	108.8229	0.620	31	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.6090	0.007	2	108.8229	0.620	31	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4280	0.000	1	108.8229	0.620	31	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4620	0.445	8	108.8229	0.620	31	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4535	0.047	2	108.8229	0.620	31	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9945	0.026	2	109.9945	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4154	2.657	8	108.5646	4.543	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8630	0.074	4	108.5646	4.543	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8320	0.016	2	108.7837	0.007	3	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6870	0.000	1	108.7837	0.007	3	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	104.7020	3.220	2	104.7020	10.369	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9505	0.025	2	108.7393	1.424	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.0405	0.018	2	108.7393	1.424	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.2270	2.514	2	108.7393	1.424	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4585	0.035	2	109.4585	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2940	0.007	2	109.2940	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	108.4520	0.011	2	108.4520	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]O)(H)2{1|O<2>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2H)	109.0915	0.026	2	109.0915	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7050	0.047	2	108.7050	0.002	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7905	0.064	2	108.7905	0.004	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	108.9615	0.025	2	110.1382	1.847	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	111.3150	0.016	2	110.1382	1.847	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4400	0.006	2	109.4259	0.008	7	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5280	0.023	2	109.4259	0.008	7	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3483	0.056	3	109.4259	0.008	7	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){5|C<4>}	H(C[6]C[6]2H)	108.7022	0.252	6	108.7022	0.064	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6363	0.395	3	106.6976	3.531	7	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	105.2435	0.616	4	106.6976	3.531	7	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(O){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.7740	0.013	2	109.7740	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7677	0.711	3	108.3241	5.119	9	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5583	0.050	4	108.3241	5.119	9	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	105.1905	3.689	2	108.3241	5.119	9	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9502	0.223	11	108.9502	0.050	11	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9880	0.152	4	108.9880	0.023	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2910	0.017	2	108.9460	0.521	155	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.0505	0.016	2	108.9460	0.521	155	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6827	0.211	8	108.9460	0.521	155	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6136	0.455	19	108.9460	0.521	155	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Cr<9>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|Cr<9>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4150	0.013	2	108.9460	0.521	155	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9890	0.522	10	108.9460	0.521	155	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.4780	0.033	3	108.9460	0.521	155	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2772	0.113	4	108.9460	0.521	155	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8847	0.379	8	108.9460	0.521	155	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9183	0.189	6	108.9460	0.521	155	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9117	0.778	91	108.9460	0.521	155	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9495	0.019	2	109.1201	0.377	28	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9325	0.028	2	109.1201	0.377	28	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8745	0.483	18	109.1201	0.377	28	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	110.1933	0.077	4	109.1201	0.377	28	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5425	0.008	2	109.1201	0.377	28	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3340	0.042	2	109.0939	0.081	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7417	0.097	4	109.0939	0.081	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3940	0.030	2	109.0939	0.081	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1760	0.114	4	109.0939	0.081	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6133	0.505	3	109.6133	0.255	3	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6913	0.426	6	109.3873	3.312	89	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4140	0.030	2	109.3873	3.312	89	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0263	0.294	3	109.3873	3.312	89	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9710	0.008	2	109.3873	3.312	89	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1490	0.017	2	109.3873	3.312	89	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2890	1.026	16	109.3873	3.312	89	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.7095	0.033	2	109.3873	3.312	89	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2505	0.222	4	109.3873	3.312	89	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4305	0.022	2	109.3873	3.312	89	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.5454	2.343	50	109.3873	3.312	89	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8800	0.028	2	108.8800	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]N[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6,6]N[5]H)(C[6]C[6]HH)(O){3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.4880	0.000	1	109.4880	0.000	1	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5127	0.140	4	109.5127	0.020	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	108.5980	0.034	2	108.8025	16.667	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4910	0.034	2	108.8025	16.667	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3185	9.046	2	108.8025	16.667	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5235	0.069	2	109.5191	0.004	7	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5533	0.036	3	109.5191	0.004	7	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4635	0.083	2	109.5191	0.004	7	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9153	0.764	12	109.9153	0.583	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6415	0.022	2	109.6415	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1960	0.260	2	109.1960	0.068	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6645	0.026	2	109.6645	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.5655	0.049	2	108.5744	0.470	14	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4025	0.018	2	108.5744	0.470	14	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6085	0.012	2	108.5744	0.470	14	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7217	0.111	6	108.5744	0.470	14	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|N<4>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.2790	0.597	2	108.5744	0.470	14	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.4550	0.033	2	108.4550	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,4|C<4>}	H(C[6]C[6]2H)	109.0530	0.358	4	109.0530	0.128	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.3080	0.136	4	109.3080	0.018	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.7320	0.014	2	108.8540	0.153	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4620	0.004	2	108.8540	0.153	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	108.6110	0.146	4	108.8540	0.153	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.5782	0.250	4	109.5782	0.062	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O){1|O<1>,3|C<4>}	H(C[6]C[6]2H)	109.2788	0.340	4	109.2788	0.115	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	107.8040	2.165	2	108.8295	0.684	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.0981	0.181	7	108.8295	0.684	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8863	0.097	3	108.8295	0.684	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|Ru<10>,1|C<4>,3|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(O){4|C<4>}	H(C[6]C[6]2H)	104.7500	1.264	2	104.7500	1.598	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(O){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.0057	0.029	3	109.0057	0.001	3	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1042	0.064	4	109.1117	0.010	11	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.1160	0.122	7	109.1117	0.010	11	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2110	0.024	2	109.2110	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|Si<4>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.8845	0.046	2	108.8845	0.002	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	107.7670	0.011	2	107.7670	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0115	0.019	2	108.8711	0.639	48	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9325	0.015	2	108.8711	0.639	48	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8323	0.100	3	108.8711	0.639	48	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9560	0.017	2	108.8711	0.639	48	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5270	0.006	2	108.8711	0.639	48	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5965	0.005	2	108.8711	0.639	48	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2670	1.243	2	108.8711	0.639	48	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3158	1.299	12	108.8711	0.639	48	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9378	0.615	10	108.8711	0.639	48	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0515	0.092	11	108.8711	0.639	48	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.9120	0.020	2	109.9120	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8050	0.020	2	106.7594	3.601	10	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	106.2480	1.771	8	106.7594	3.601	10	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.7230	0.006	2	109.7230	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	108.8345	0.009	2	108.8345	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.0180	3.035	2	108.9902	1.835	63	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.3370	0.021	2	108.9902	1.835	63	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1393	0.105	3	108.9902	1.835	63	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8560	0.000	1	108.9902	1.835	63	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2248	0.018	4	108.9902	1.835	63	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3213	0.187	8	108.9902	1.835	63	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9070	0.010	2	108.9902	1.835	63	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9608	0.278	6	108.9902	1.835	63	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9840	0.000	1	108.9902	1.835	63	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.1123	0.046	4	108.9902	1.835	63	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7850	2.172	22	108.9902	1.835	63	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2227	0.260	4	108.9902	1.835	63	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1725	0.009	2	108.9902	1.835	63	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2065	0.028	2	108.9902	1.835	63	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	109.2350	0.000	2	109.2350	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	109.4130	0.031	2	109.4130	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.4248	0.167	6	109.4248	0.028	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9710	0.027	2	108.9710	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.7065	0.081	4	109.7065	0.007	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.7515	0.019	2	109.5316	0.092	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.2480	0.000	1	109.5316	0.092	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.7100	0.045	2	109.5316	0.092	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.1320	0.018	2	109.5316	0.092	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.8180	0.000	1	109.5316	0.092	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0930	0.000	1	109.0930	0.000	1	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6735	0.009	2	109.6735	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1617	0.467	3	109.4334	0.247	5	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.8410	0.016	2	109.4334	0.247	5	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	105.7330	3.122	4	108.0954	4.424	17	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.3795	0.022	2	108.0954	4.424	17	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2430	0.000	1	108.0954	4.424	17	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2377	0.023	3	108.0954	4.424	17	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7107	1.365	7	108.0954	4.424	17	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5545	0.188	13	109.5545	0.035	13	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0210	0.041	2	108.9588	0.008	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0097	0.113	4	108.9588	0.008	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8967	0.045	4	108.9588	0.008	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	108.9190	0.017	2	108.9588	0.008	12	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(O){1|B<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.0215	0.042	2	109.7738	0.083	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.5260	0.023	2	109.7738	0.083	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	104.6335	2.524	2	104.6335	6.369	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8755	0.346	11	108.9831	0.135	15	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.2790	0.268	4	108.9831	0.135	15	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	109.2780	0.000	1	109.2354	0.141	24	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2930	0.035	2	109.2354	0.141	24	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	108.8925	0.128	11	109.2354	0.141	24	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3655	0.005	2	109.2354	0.141	24	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|S<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4530	0.019	4	109.2354	0.141	24	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8563	0.073	4	109.2354	0.141	24	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.9784	0.803	5	108.6300	3.723	29	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8468	2.435	6	108.6300	3.723	29	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1700	0.062	2	108.6300	3.723	29	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2690	0.495	4	108.6300	3.723	29	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7895	0.066	2	108.6300	3.723	29	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.7163	2.892	6	108.6300	3.723	29	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2507	0.219	4	108.6300	3.723	29	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5785	0.032	2	109.1471	1.212	100	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4005	0.026	2	109.1471	1.212	100	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2433	0.082	3	109.1471	1.212	100	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5230	0.007	2	109.1471	1.212	100	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0370	0.016	2	109.1471	1.212	100	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|B<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	106.9722	2.084	10	109.1471	1.212	100	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	107.8580	1.980	2	109.1471	1.212	100	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.7475	0.013	2	109.1471	1.212	100	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.7000	0.051	2	109.1471	1.212	100	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5222	0.378	52	109.1471	1.212	100	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2794	0.528	9	109.1471	1.212	100	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4104	0.749	11	109.1471	1.212	100	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3860	0.000	1	109.1471	1.212	100	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.1035	0.025	2	109.8757	0.069	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6480	0.011	2	109.8757	0.069	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<3>,3|H<1>}	H(C[6]C[6]2H)	113.5935	8.879	2	110.5745	14.901	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5682	0.482	6	110.5745	14.901	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3710	0.008	2	109.2013	0.355	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1165	0.750	4	109.2013	0.355	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]FP)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|F<1>,1|P<4>,2|H<1>}	C[6](C[6]C[6]FP)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4387	0.307	4	109.4387	0.094	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HP)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.1650	4.038	2	108.1650	16.302	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.8465	0.016	2	108.8465	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(O){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8075	0.022	2	107.7097	6.133	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|P<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(O){1|C<4>,3|H<1>}	H(C[6]C[6]2H)	105.6120	0.892	2	107.7097	6.133	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]OO)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]OO)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1835	0.035	2	109.1835	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8230	0.099	4	109.0905	0.179	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(O){1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.6255	0.069	2	109.0905	0.179	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|S<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]HH)(O){1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	108.9990	0.041	2	108.9990	0.002	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.3735	2.525	4	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.7115	1.763	2	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5087	0.078	8	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2863	0.051	6	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.4325	0.025	2	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3735	0.335	4	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1995	0.122	4	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0050	0.000	1	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.6605	0.023	2	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	108.9795	2.693	2	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.6040	0.000	1	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2770	0.481	19	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2885	0.021	2	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.2144	0.227	14	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1075	0.006	2	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1708	0.148	6	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8615	0.059	2	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6333	1.516	28	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.8550	0.014	2	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8905	1.757	36	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4370	0.064	2	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4352	1.685	41	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4648	0.216	4	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8790	0.037	2	108.8387	1.890	196	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Ni<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4425	0.018	2	108.5545	0.017	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Ni<5>,1|C<5>,3|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.6665	0.012	2	108.5545	0.017	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<3>,3|H<1>}	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	108.7807	0.068	4	108.7807	0.005	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.8800	0.030	2	108.8800	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.4140	0.021	2	109.2170	0.052	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.0200	0.033	2	109.2170	0.052	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.9320	0.023	2	108.9320	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3971	0.161	7	109.5342	0.049	13	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6043	0.125	4	109.5342	0.049	13	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.8740	0.024	2	109.5342	0.049	13	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	108.7434	0.118	8	109.1844	1.090	31	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.3383	0.015	3	109.1844	1.090	31	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1323	0.289	6	109.1844	1.090	31	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.2114	1.431	14	109.1844	1.090	31	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.3245	0.105	4	109.3245	0.011	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.4582	0.049	4	109.4582	0.002	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	107.6955	0.046	4	107.6530	0.003	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	107.6105	0.010	4	107.6530	0.003	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.0490	0.013	2	109.0490	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7454	0.594	7	109.7454	0.353	7	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	109.4895	0.023	2	109.4895	0.001	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	106.7980	3.325	2	106.7980	11.054	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7655	0.011	2	108.7655	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	109.2495	0.040	4	109.2495	0.002	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	108.8465	0.029	2	109.1765	0.248	47	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4527	0.064	8	109.1765	0.248	47	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.8620	0.008	2	109.1765	0.248	47	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.0870	0.335	8	109.1765	0.248	47	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4463	0.169	3	109.1765	0.248	47	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8390	2.660	2	109.1765	0.248	47	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.2330	0.161	6	109.1765	0.248	47	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	109.5255	0.011	2	109.1765	0.248	47	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1525	0.025	2	109.1765	0.248	47	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.1730	0.000	1	109.1765	0.248	47	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4505	0.223	4	109.1765	0.248	47	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)2(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0190	0.014	2	109.1765	0.248	47	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.8095	0.349	2	109.1765	0.248	47	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7193	0.057	3	109.1765	0.248	47	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.5590	0.000	1	109.2022	0.080	5	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.3100	0.006	2	109.2022	0.080	5	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	108.9160	0.081	2	109.2022	0.080	5	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	109.2127	0.139	4	109.2127	0.019	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3478	0.201	6	108.2745	0.362	30	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|N<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.7650	0.017	2	108.2745	0.362	30	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.0281	0.269	22	108.2745	0.362	30	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1594	0.111	5	108.9056	0.219	69	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	107.9035	0.005	2	108.9056	0.219	69	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1910	0.000	1	108.9056	0.219	69	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6573	0.300	39	108.9056	0.219	69	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3724	0.311	21	108.9056	0.219	69	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.2340	0.000	1	108.9056	0.219	69	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4883	0.258	6	109.5127	0.050	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|Cl<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(O){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5860	0.038	2	109.5127	0.050	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	108.9713	0.090	3	108.8410	0.122	16	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.4875	0.029	2	108.8410	0.122	16	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8697	0.387	11	108.8410	0.122	16	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.1672	0.261	4	109.1672	0.068	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1322	0.172	4	109.1313	0.018	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	109.1295	0.039	2	109.1313	0.018	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1838	0.103	4	109.1295	0.173	19	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(O){1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.1634	0.502	7	109.1295	0.173	19	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4320	0.301	4	109.1295	0.173	19	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|P<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7135	0.267	4	109.1295	0.173	19	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.1215	2.416	6	108.1215	5.837	6	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.3095	0.054	2	109.0665	0.765	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.8235	0.026	2	109.0665	0.765	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6390	0.069	2	109.6390	0.005	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.1440	0.007	2	109.0683	0.008	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9925	0.028	2	109.0683	0.008	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	108.9275	0.009	2	108.9275	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.8430	0.011	2	108.8430	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.6565	0.006	2	109.6565	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.0705	0.028	2	109.3116	0.025	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	109.3920	0.063	6	109.3116	0.025	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.2494	0.641	7	109.0036	1.100	40	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	108.1015	0.318	4	109.0036	1.100	40	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	108.9670	0.085	4	109.0036	1.100	40	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|N<3>,4|C<4>}	H(C[6]C[6]2H)	109.4996	0.169	8	109.0036	1.100	40	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(O){1|N<4>,4|C<4>}	H(C[6]C[6]2H)	109.3015	1.350	17	109.0036	1.100	40	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	108.1740	2.427	2	108.1740	5.889	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.2795	0.009	2	108.9977	0.642	15	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.9080	0.528	3	108.9977	0.642	15	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	109.0267	0.385	4	108.9977	0.642	15	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	109.1942	0.181	4	108.9977	0.642	15	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	108.3990	2.613	2	108.9977	0.642	15	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2740	0.006	2	109.2740	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.2575	0.335	4	109.2575	0.112	4	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1410	0.326	3	109.0561	0.858	24	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	107.5790	3.376	2	109.0561	0.858	24	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.1982	0.432	19	109.0561	0.858	24	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.5933	0.015	3	109.5933	0.000	3	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	109.2330	0.348	8	109.2391	0.095	10	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2635	0.009	2	109.2391	0.095	10	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]O[6]CO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]CO)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6]2H)	109.2315	0.062	2	109.2315	0.004	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	110.0515	0.004	2	110.0515	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|P<3>,4|C<4>}	H(C[6]C[6]2H)	109.1993	0.133	4	108.6070	1.088	27	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|P<4>,4|C<4>}	H(C[6]C[6]2H)	108.3852	0.063	4	108.6070	1.088	27	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|P<4>,4|C<4>}	H(C[6]C[6]2H)	108.4299	1.355	15	108.6070	1.088	27	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|P<4>,4|C<4>}	H(C[6]C[6]2H)	108.9010	0.192	4	108.6070	1.088	27	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(O){1|P<4>,4|C<4>}	H(C[6]C[6]2H)	106.7400	0.013	2	106.7400	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|S<2>,2|O<2>,5|H<1>}	H(C[6]C[6]2H)	108.4720	0.047	2	108.4720	0.002	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|S<2>,5|H<1>}	H(C[6]C[6]2H)	109.7630	0.000	1	109.7630	0.000	1	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|S<2>,4|H<1>}	H(C[6]C[6]2H)	109.3415	0.095	8	109.3415	0.009	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]NO)(O)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]NO)(O){1|S<2>,4|H<1>}	H(C[6]C[6]2H)	109.6605	0.008	2	109.6605	0.000	2	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|Si<4>,4|H<1>}	H(C[6]C[6]2H)	108.7228	0.064	4	108.7686	0.006	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)2(O)	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(O){1|Si<4>,4|H<1>}	H(C[6]C[6]2H)	108.8145	0.069	4	108.7686	0.006	8	108.9657	1.382	1719	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4455	0.039	2	109.4455	0.002	2	109.4455	0.002	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:P[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2	C[6](C[6]C[6]HH)(P[6]C[6]CW)(O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	C[6](C[6]C[6]HH)(P[6]C[6]CW)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	109.1079	0.280	8	109.1079	0.078	8	109.1079	0.078	8	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:C[6]-3:H-1:I-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)(I)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HI)(O)	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)(I){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HI)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2I)	109.2840	0.000	1	109.2840	0.000	1	109.2840	0.000	1	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]N[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CH)(C[6]N[6]H)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1790	0.034	2	109.1790	0.001	2	112.1778	9.950	6	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	113.0380	4.214	2	113.6773	7.589	4	112.1778	9.950	6	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	114.3165	1.836	2	113.6773	7.589	4	112.1778	9.950	6	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:1:	4:	S[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](S[6]C[6]OO)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]S[6]HH)(O)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6]OO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]HH)(O){1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]S[6]H)	109.5325	0.021	2	109.5325	0.000	2	109.5325	0.000	2	108.9473	1.675	2918	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[5,6]N)(H)2	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]HH)(NO)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[5,6]N)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]HH)(NO){2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	110.3665	1.025	2	110.3665	1.050	2	110.3665	1.050	2	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]N)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]N)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.3660	0.028	2	109.3660	0.001	2	109.4237	0.005	4	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.4815	0.005	2	109.4815	0.000	2	109.4237	0.005	4	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]N)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(NO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]N)(H)2{1|H<1>,7|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(NO){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(NO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2{3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(NO){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.4655	0.452	4	109.4655	0.204	4	109.5840	0.157	6	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NN){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.8210	0.041	2	109.8210	0.002	2	109.5840	0.157	6	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NO)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.1345	0.009	2	109.1345	0.000	2	109.2133	0.251	10	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(NN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(NN){1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	108.9815	0.019	2	108.9815	0.000	2	109.2133	0.251	10	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)2(NFe)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(NFe){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.5727	0.656	4	109.5727	0.430	4	109.2133	0.251	10	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H)2{1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.8050	0.042	2	108.8050	0.002	2	109.2133	0.251	10	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]N)(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]N)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(NO){2|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5695	1.139	2	108.5695	1.298	2	109.3498	0.157	23	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NO){1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3085	0.015	2	109.3085	0.000	2	109.3498	0.157	23	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4363	0.209	19	109.4363	0.044	19	109.3498	0.157	23	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]O)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(OH)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(OH){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.5935	0.042	2	108.5935	0.002	2	108.5935	0.002	2	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(CC)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(CC){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	109.9505	0.005	2	109.9505	0.000	2	109.6208	0.038	19	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6708	0.214	6	109.6708	0.046	6	109.6208	0.038	19	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6])	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6]){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3140	0.000	1	109.3140	0.000	1	109.6208	0.038	19	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4785	0.060	2	109.4785	0.004	2	109.6208	0.038	19	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5747	0.094	8	109.5747	0.009	8	109.6208	0.038	19	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1090	0.030	2	108.8837	0.068	4	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NN){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.6585	0.005	2	108.8837	0.068	4	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4262	0.709	4	109.2818	0.351	6	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.9930	0.008	2	109.2818	0.351	6	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(NO){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.4420	0.010	2	109.4420	0.000	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3060	0.014	2	109.3060	0.000	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NO){2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.7300	0.000	1	108.7300	0.000	1	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|N<2>,3|C<4>}	H(C[6]C[6]2H)	109.2245	0.436	4	109.2245	0.190	4	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NN){2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.5250	0.016	2	109.5250	0.000	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NO){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.0340	0.010	2	109.0340	0.000	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3670	1.267	6	109.3670	1.606	6	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.1935	2.795	2	110.1935	7.813	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3405	0.425	4	109.3405	0.181	4	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.5935	0.118	4	108.5935	0.014	4	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	108.7070	0.007	2	108.7070	0.000	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5655	0.032	2	109.7250	0.034	4	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8845	0.019	2	109.7250	0.034	4	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1110	0.004	2	110.2700	3.975	4	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	111.4290	2.560	2	110.2700	3.975	4	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMn)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMn){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.7595	0.033	2	107.7595	0.001	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4175	0.009	2	109.4175	0.000	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[5a])	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[5a]){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.5165	0.011	2	108.5165	0.000	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NN[5])	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NN[5]){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.6313	1.067	6	108.6313	1.138	6	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2400	0.016	2	109.2400	0.000	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5853	0.353	4	109.5853	0.125	4	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.9557	3.781	4	109.4397	1.198	78	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4440	0.869	63	109.4397	1.198	78	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2269	0.308	11	109.4397	1.198	78	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4197	0.102	4	109.2392	1.800	46	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2220	1.404	42	109.2392	1.800	46	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.0180	0.013	2	110.0180	0.000	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	108.9680	0.037	2	108.9680	0.001	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(NN){2|C<3>,3|C<4>}	H(C[6]C[6]2H)	109.3625	0.011	2	109.3625	0.000	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(NO){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	109.1065	0.011	2	109.1065	0.000	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6815	0.015	2	109.6815	0.000	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4600	0.034	2	109.4600	0.001	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.9495	0.036	2	109.5602	0.497	28	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.6304	0.225	19	109.5602	0.497	28	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.4825	2.790	2	109.5602	0.497	28	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.9688	0.426	5	109.5602	0.497	28	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	110.0125	0.057	2	110.0125	0.003	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4540	0.008	2	109.4540	0.000	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(NO)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(NO){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.7720	0.000	1	109.7720	0.000	1	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NO)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(NO){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6853	0.040	3	109.6853	0.002	3	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]N)(H)2{3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NN){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.4595	0.076	2	109.4595	0.006	2	109.3612	1.038	241	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	108.4340	0.686	2	108.4340	0.470	2	109.1188	0.782	4	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OFe)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OFe){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8035	0.035	2	109.8035	0.001	2	109.1188	0.782	4	109.3735	0.852	312	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	B[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]B[6]HH)(C[6]C[6]CH)(CCH)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]B[6]HH)(C[6]C[6]CH)(CCH){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[6]B[6]C[6]H)	110.1760	0.064	2	110.1760	0.004	2	110.1760	0.004	2	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:Br-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(Br)(H)	C[6](C[6]C[5,6]BrH)2(CCH)	H(C[6]C[5,6]C[6]Br)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]BrH)2(CCH){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]Br)	108.5345	0.361	2	108.5345	0.131	2	108.5345	0.131	2	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]O[6]CO)(CHH)	H(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(Cl)(H){1|C<3>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]ClH)(C[6]O[6]CO)(CHH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]Cl)	107.2120	0.000	1	107.2120	0.000	1	107.2120	0.000	1	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2{2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]H)	109.1730	0.016	2	109.7977	0.235	6	110.2450	2.950	10	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2{2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH){2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]H)	110.1100	0.024	4	109.7977	0.235	6	110.2450	2.950	10	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CHH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CHH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	110.9160	2.731	4	110.9160	7.458	4	110.2450	2.950	10	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(CHH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(CHH){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	109.4020	0.037	2	109.4020	0.001	2	109.5230	0.586	31	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	109.7975	0.037	2	109.7975	0.001	2	109.5230	0.586	31	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHN)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHN){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.8070	0.000	1	109.8070	0.000	1	109.5230	0.586	31	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	110.8390	0.629	2	110.8390	0.396	2	109.5230	0.586	31	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]C)(H)2{2|H<1>,7|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH){1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	109.0373	0.120	4	109.0373	0.014	4	109.5230	0.586	31	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CN[5]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CN[5]H){2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	108.9420	0.040	2	108.9420	0.002	2	109.5230	0.586	31	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(CHH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.2615	0.029	2	109.2615	0.001	2	109.5230	0.586	31	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HH)(CCH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HH)(CCH){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	109.1935	0.009	2	109.1935	0.000	2	109.5230	0.586	31	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	111.0550	2.130	2	111.0550	4.536	2	109.5230	0.586	31	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.7105	0.100	2	109.7105	0.010	2	109.5230	0.586	31	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.3570	0.007	2	109.3570	0.000	2	109.5230	0.586	31	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|N<3>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]H){1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[5,6]C[6]H)	109.0247	0.155	6	109.0247	0.024	6	109.5230	0.586	31	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CHH)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CHH){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	109.9970	0.024	2	109.9970	0.001	2	109.5230	0.586	31	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CHH){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	109.3170	0.078	2	109.3170	0.006	2	109.3170	0.006	2	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2{1|C<3>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.8290	0.007	2	109.5258	0.073	6	109.5885	0.066	8	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2{3|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(CHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.3743	0.171	4	109.5258	0.073	6	109.5885	0.066	8	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]P)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]P)(C[6]C[6,6]C)(H)2{1|B<4>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CHH){1|P<4>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	109.7765	0.040	2	109.7765	0.002	2	109.5885	0.066	8	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,7|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(CHH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8650	0.021	2	108.8650	0.000	2	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|C<3>,7|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CHH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.7680	0.010	2	108.7680	0.000	2	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	112.0570	1.697	4	112.0570	2.881	4	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCl2)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCl2){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.5903	0.103	3	109.5903	0.011	3	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2650	0.000	1	109.1993	0.003	3	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	109.1665	0.021	2	109.1993	0.003	3	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)2(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]HH)2(CHH){1|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.4960	0.021	2	109.3622	0.025	4	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)2(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)2(CHH){1|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	109.2285	0.050	2	109.3622	0.025	4	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	109.4112	0.369	4	109.4112	0.136	4	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)2(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(CHH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2285	0.063	2	109.2347	0.002	4	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)2(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)2(CHH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	109.2410	0.055	2	109.2347	0.002	4	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(CN[5]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(CN[5]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	109.1160	0.000	1	109.1160	0.000	1	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	108.8620	0.013	2	108.8620	0.000	2	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(CHH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	109.2803	0.211	9	109.2803	0.045	9	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2{1|B<4>,2|C<3>,8|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	108.9505	0.126	4	108.9505	0.016	4	109.4776	0.997	42	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2)(H)2{3|C<4>,3|N<3>,4|H<1>}	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.3160	0.004	2	109.3160	0.000	2	109.2977	0.000	6	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]N[6,6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2{2|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]N[6,6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){2|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	109.2820	0.004	2	109.2820	0.000	2	109.2977	0.000	6	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2{2|C<4>,3|N<3>,5|H<1>}	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	109.2950	0.024	2	109.2950	0.001	2	109.2977	0.000	6	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	B[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]P[6]HH)(C[6]B[6]C)(H)2	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(CC[6a]Si)	H(C[6]C[6]2H)	C[6](C[6]P[6]HH)(C[6]B[6]C)(H)2{1|O<2>,4|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(CC[6a]Si){1|P<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.3360	0.014	2	109.3360	0.000	2	109.3360	0.000	2	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6,6]C)(H)2	C[6](C[5,6,6]C[5,5,6]C[6,6a]O[5,6])(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6,6]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,6,6]C[5,5,6]C[6,6a]O[5,6])(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.2255	0.070	2	109.2255	0.005	2	109.2255	0.005	2	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]HH)(CCC){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.9160	0.031	2	108.9160	0.001	2	109.2489	0.280	18	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6950	0.028	2	109.6950	0.001	2	109.2489	0.280	18	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCH){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	108.2575	0.129	2	108.2575	0.017	2	109.2489	0.280	18	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3555	0.013	2	109.4970	0.437	5	109.2489	0.280	18	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C){2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.5913	0.917	3	109.4970	0.437	5	109.2489	0.280	18	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4055	0.008	2	109.3227	0.010	7	109.2489	0.280	18	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1840	0.047	2	109.3227	0.010	7	109.2489	0.280	18	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	109.3390	0.000	1	109.3227	0.010	7	109.2489	0.280	18	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3705	0.033	2	109.3227	0.010	7	109.2489	0.280	18	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NHO)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NHO){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0533	0.028	3	109.0533	0.001	3	109.0533	0.001	3	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[5,6,6]N[6]C)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]C)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]N[6]C)(C[6]C[6]HH)(CCH){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	111.0075	0.943	2	111.0075	0.888	2	109.8741	0.511	14	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]C)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.6425	0.043	2	109.6425	0.002	2	109.8741	0.511	14	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{1|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4120	0.017	2	109.4120	0.000	2	109.8741	0.511	14	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.6268	0.125	4	109.9618	0.323	6	109.8741	0.511	14	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CHH){4|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.6320	0.471	2	109.9618	0.323	6	109.8741	0.511	14	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	109.1715	0.053	2	109.1715	0.003	2	109.8741	0.511	14	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>}	H(C[6]C[6]2H)	108.2615	0.528	2	108.2615	0.279	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	107.8000	0.004	2	107.8000	0.000	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	110.6510	0.024	2	110.6510	0.001	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CHH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.1308	0.088	4	109.1308	0.008	4	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH){1|C<2>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	109.3725	0.005	2	109.3725	0.000	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.7420	0.018	2	109.7420	0.000	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3745	0.019	4	109.4078	0.086	60	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.0160	0.204	11	109.4078	0.086	60	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.3465	0.035	4	109.4078	0.086	60	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5221	0.244	41	109.4078	0.086	60	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHO)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	112.6190	0.499	2	112.6190	0.249	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.0210	0.416	4	109.0210	0.173	4	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2110	1.360	4	109.2110	1.850	4	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCl2)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCl2){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4677	0.065	3	109.4677	0.004	3	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5825	0.006	2	109.5050	0.009	4	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4275	0.043	2	109.5050	0.009	4	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCH){2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5690	0.076	3	109.5690	0.006	3	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	108.6090	0.041	2	108.6090	0.002	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.3385	0.023	2	109.3385	0.001	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.3885	0.025	2	109.3885	0.001	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.7860	0.008	2	109.7860	0.000	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHH){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	111.3280	1.317	2	111.3280	1.734	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4735	0.013	2	109.4735	0.000	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.0825	4.154	2	109.0825	17.258	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5425	0.043	2	109.5425	0.002	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.5030	0.014	2	109.5030	0.000	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.4740	0.000	1	109.4740	0.000	1	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CHH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7295	0.106	8	109.7295	0.011	8	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CP[6]C)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CP[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.9550	0.082	2	109.9550	0.007	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	108.9465	0.011	2	108.9465	0.000	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8065	0.006	2	109.8065	0.000	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4710	0.000	1	109.5550	0.005	3	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5970	0.007	2	109.5550	0.005	3	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>,2|S<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3740	0.010	2	109.4596	0.027	8	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4882	0.184	6	109.4596	0.027	8	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0750	0.007	2	109.0750	0.000	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2360	0.008	2	109.2360	0.000	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.4550	0.000	1	109.4550	0.000	1	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){2|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.7830	0.006	2	109.6313	0.022	6	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6530	0.024	2	109.6313	0.022	6	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4730	0.000	1	109.6313	0.022	6	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4430	0.000	1	109.6313	0.022	6	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.2620	1.304	2	109.2620	1.700	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.4387	0.237	4	109.4387	0.056	4	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CBr2)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CBr2){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	109.1065	0.040	2	109.1065	0.002	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCC){1|C<3>,4|H<1>}	H(C[6]C[6]2H)	110.1905	2.934	2	109.1930	3.289	7	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0567	0.208	3	109.1930	3.289	7	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	108.4000	2.782	2	109.1930	3.289	7	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	110.1050	1.406	4	109.7259	1.218	7	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2203	0.134	3	109.7259	1.218	7	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCI)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCI){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2465	0.629	4	109.2465	0.395	4	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCS)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CCS){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5583	0.163	4	109.5583	0.027	4	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC[3]O)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[3]O){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	111.4165	2.735	4	111.4165	7.480	4	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC[5]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[5]H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3530	0.534	7	109.3530	0.286	7	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6]H){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4668	0.192	4	109.4668	0.037	4	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC[6a]C)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]C){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.8830	0.099	4	109.8830	0.010	4	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CHH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0809	0.547	8	109.2407	0.212	14	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CHH){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.3985	0.224	4	109.2407	0.212	14	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.5645	0.022	2	109.2407	0.212	14	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CN[5]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CN[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	110.2425	2.361	2	110.2425	5.574	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6]P)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6]P){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.9750	0.055	2	108.9750	0.003	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6]P[6])	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6]P[6]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	108.9305	0.009	2	108.9305	0.000	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]N)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]N){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	109.1442	0.204	6	109.1442	0.042	6	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHN){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	109.4750	0.000	1	109.4750	0.000	1	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	109.4540	0.106	6	109.4686	0.009	8	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CN[5]H){3|C<3>,3|H<1>}	H(C[6]C[6]2H)	109.5125	0.050	2	109.4686	0.009	8	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]Br)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]Br){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.7230	0.010	2	109.7230	0.000	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN[5]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CN[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.0050	0.049	2	110.0050	0.002	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	109.3185	0.025	2	109.3185	0.001	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	109.4575	0.453	4	109.4575	0.205	4	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHH){4|C<3>}	H(C[6]C[6]2H)	109.4660	0.424	2	109.4660	0.180	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CHH){1|C<4>,2|C<3>}	H(C[6]C[6]2H)	107.9445	2.392	2	107.9445	5.722	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(CHH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	108.9265	0.019	2	108.9265	0.000	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	110.1835	0.009	2	110.1835	0.000	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC[6a]C)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]C){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	109.4652	0.056	4	109.4652	0.003	4	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CHH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	108.6365	2.662	2	108.6365	7.088	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CCH)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CCH){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6277	0.109	3	109.6277	0.012	3	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC[6a]2)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]2){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.6433	0.032	3	109.5698	0.007	6	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CC[6a]2)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]2){1|N<3>,4|H<1>}	H(C[6]C[6]2H)	109.4963	0.022	3	109.5698	0.007	6	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC){1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.7865	0.514	2	109.7865	0.264	2	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CSiC)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)2(CSiC){1|O<2>,4|H<1>}	H(C[6]C[6]2H)	109.5913	0.123	4	109.5913	0.015	4	109.4697	0.674	272	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)2{1|C<2>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	109.0400	0.000	1	109.0400	0.000	1	109.5696	1.826	48	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(C[6]C[6]2)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(C[6]C[6]2){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6]2H)	111.0480	1.328	2	111.0480	1.763	2	109.5696	1.826	48	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6]2H)	109.1590	0.008	2	109.1590	0.000	2	109.5696	1.826	48	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]Pt)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|Pt<4>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]Pt){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2H)	108.5290	0.250	2	108.5290	0.063	2	109.5696	1.826	48	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	109.3988	0.062	4	109.6435	2.022	32	109.5696	1.826	48	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	110.9860	3.158	2	109.6435	2.022	32	109.5696	1.826	48	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.1277	0.260	10	109.6435	2.022	32	109.5696	1.826	48	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.3449	0.145	8	109.6435	2.022	32	109.5696	1.826	48	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){3|C<4>,8|H<1>}	H(C[6]C[6]2H)	110.5745	1.843	4	109.6435	2.022	32	109.5696	1.826	48	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){4|C<4>,7|H<1>}	H(C[6]C[6]2H)	110.1728	3.159	4	109.6435	2.022	32	109.5696	1.826	48	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2H)	109.3594	1.303	9	109.3594	1.698	9	109.5696	1.826	48	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC){1|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.5725	0.011	2	109.5725	0.000	2	109.5773	0.647	17	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC){2|C<4>,3|H<1>}	H(C[6]C[6]2H)	109.8145	2.894	2	109.8145	8.376	2	109.5773	0.647	17	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC){1|Cl<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	108.7085	0.063	2	108.7085	0.004	2	109.5773	0.647	17	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NCoC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCoC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7846	0.078	7	109.7846	0.006	7	109.5773	0.647	17	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)2(NCuH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NCuH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5327	0.033	4	109.5327	0.001	4	109.5773	0.647	17	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:Se-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Se)(H)2	C[6](C[6]C[6]HH)2(SePdC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]Se)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(SePdC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	107.5727	0.073	4	107.5727	0.005	4	107.5727	0.005	4	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:P[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]P[6])(H)2	C[6](C[6]C[6]HH)(P[6]O[6]2O)(C[6]C[6]O)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]P[6])(H)2{1|O<1>,2|C<4>,2|H<1>,5|O<2>}	C[6](C[6]C[6]HH)(P[6]O[6]2O)(C[6]C[6]O){2|H<1>,5|C<4>}	H(C[6]C[6]2H)	108.0735	0.063	2	108.0735	0.004	2	108.0735	0.004	2	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:C[6]-3:H-1:O-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)(O){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.3070	0.000	1	109.3070	0.000	1	109.3070	0.000	1	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	N[5,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]C)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH){4|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.6808	0.569	102	109.6808	0.324	102	109.6808	0.324	102	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:3:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.4315	0.026	2	108.4315	0.001	2	108.4315	0.001	2	109.5067	0.765	591	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2H)	109.6520	0.201	2	109.6520	0.040	2	108.3261	2.048	10	109.2001	0.712	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CHHN)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CHHN){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	106.6807	0.240	4	106.6807	0.057	4	108.3261	2.048	10	109.2001	0.712	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](C[6]C[6]HH)2(CRuCH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(CRuCH){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.3085	0.071	4	109.3085	0.005	4	108.3261	2.048	10	109.2001	0.712	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.7075	0.019	2	109.7075	0.000	2	109.3402	0.125	5	109.2001	0.712	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]LiN)(C[6]C[6]HH)(NLi2Si)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|Li<5>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]LiN)(C[6]C[6]HH)(NLi2Si){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.0953	0.161	3	109.0953	0.026	3	109.3402	0.125	5	109.2001	0.712	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Pd)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Pd){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5665	0.055	4	109.5665	0.003	4	109.4667	0.064	27	109.2001	0.712	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Pt)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Pt){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4213	0.077	4	109.4213	0.006	4	109.4667	0.064	27	109.2001	0.712	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)2(PC[6]2Rh)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2Rh){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.4735	0.244	11	109.4735	0.060	11	109.4667	0.064	27	109.2001	0.712	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)2(PC[6]PdC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]PdC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.2873	0.389	4	109.2873	0.152	4	109.4667	0.064	27	109.2001	0.712	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	C[6](C[6]C[6]HH)2(PC[6]PtC)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]PtC){1|C<4>,4|H<1>}	H(C[6]C[6]2H)	109.5727	0.343	4	109.5727	0.118	4	109.4667	0.064	27	109.2001	0.712	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:1:1:	4:4:4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-4:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6215	0.097	2	109.6215	0.009	2	109.6215	0.009	2	109.2001	0.712	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CN)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CN)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.4590	0.000	1	106.4590	0.000	1	106.4590	0.000	1	106.4590	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[5,6]H)(OH)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[3,6]HO)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[5,6]H)(OH)(H){1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[3,6]HO)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]O)	107.4580	0.000	1	107.4580	0.000	1	107.4580	0.000	1	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HO)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HO)(H){4|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]O)	108.2220	0.000	1	108.2220	0.000	1	108.2220	0.000	1	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[3x6]HO)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[3x6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[3x6]C[6]O)	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6,6a]O)(OC)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5,6,6]HO)(O)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6,6a]O)(OC)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5,6,6]HO)(O){1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6,6]C[6]O)	107.6787	0.257	3	107.6787	0.066	3	107.6787	0.066	3	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[4,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H)	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]HO)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]HO)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[5,6]C[6]O)	107.8400	0.000	1	107.8400	0.000	1	107.8400	0.000	1	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HO)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]HO)(H){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]O)	107.6790	0.000	1	107.6790	0.000	1	109.1094	0.663	5	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]O)	109.4670	0.177	4	109.4670	0.031	4	109.1094	0.663	5	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.4240	0.000	1	109.4240	0.000	1	109.0568	0.143	5	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]O)	108.9920	0.184	2	108.9920	0.034	2	109.0568	0.143	5	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]O)	109.3670	0.000	1	109.3670	0.000	1	109.0568	0.143	5	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]HO)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]HO)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]O)	108.5090	0.000	1	108.5090	0.000	1	109.0568	0.143	5	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]O)(OH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]O)(OH)(H){1|B<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(O){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]O)	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C-2:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6,6]O)(CN)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6,6]O)(CN)(H){2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]C)	107.1490	0.000	1	107.1490	0.000	1	107.1490	0.000	1	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(OH)(H){7|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]O)	106.3280	0.000	1	106.3280	0.000	1	107.0700	0.603	3	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]O)	107.4410	0.617	2	107.4410	0.380	2	107.0700	0.603	3	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	108.0227	0.668	6	108.0227	0.446	6	107.7576	0.560	8	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H){7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	107.0200	0.000	1	107.0200	0.000	1	107.7576	0.560	8	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H){7|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	106.9050	0.000	1	106.9050	0.000	1	107.7576	0.560	8	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H){1|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(O){1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	106.4020	0.000	1	106.4020	0.000	1	106.4020	0.000	1	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O){2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	107.3880	0.000	1	107.3880	0.000	1	107.3880	0.000	1	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CN)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CN)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(CN)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(CN)(H){1|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]CH)(O){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	106.6565	0.165	2	106.6565	0.027	2	106.7243	0.027	3	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H){2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){3|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.8600	0.000	1	106.8600	0.000	1	106.7243	0.027	3	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC)(H){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.8210	0.000	1	109.8210	0.000	1	108.8932	0.494	4	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC[6])(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC[6])(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.1210	0.000	1	108.1210	0.000	1	108.8932	0.494	4	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OH)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.7330	0.000	1	108.7330	0.000	1	108.8932	0.494	4	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){1|N<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8980	0.000	1	108.8980	0.000	1	108.8932	0.494	4	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(OC)(H)	C[6](C[6,6]O[6,6]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]O[6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.9940	0.000	1	109.9940	0.000	1	109.9940	0.000	1	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OC)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O){1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2O)	110.2420	0.000	1	110.2420	0.000	1	108.8305	0.560	8	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O){1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2O)	108.6289	0.523	7	108.6289	0.274	7	108.8305	0.560	8	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:Br-1:	C[6]-4:	C[6](C[6]C[5,6]FF)(C[6]C[6]Br)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(Br)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]FF)(C[6]C[6]Br)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(Br){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]2O)	108.8390	0.161	2	108.8390	0.026	2	108.8390	0.026	2	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[4x6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[4x6]H)(C[6]C[6]HO)(H){5|C<4>}	H(C[6]C[6]2O)	107.3310	0.000	1	107.3310	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,3x6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,3x6]H)(C[6]C[6]HO)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.4660	0.000	1	108.4660	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]BrH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]BrH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){1|Br<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.9120	0.000	1	107.9120	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2913	0.140	3	109.2913	0.020	3	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.7940	0.574	2	110.7940	0.330	2	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OSi)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OSi)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.8280	0.000	1	108.8280	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]2O)	109.4340	0.000	1	109.4340	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.0200	0.000	1	109.7780	1.149	2	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.5360	0.000	1	109.7780	1.149	2	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.6070	0.000	1	109.8864	0.422	5	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.2157	0.625	3	109.8864	0.422	5	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.1780	0.000	1	109.8864	0.422	5	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC[6a])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC[6a])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.7140	0.000	1	109.7140	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[4,5,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[4,5,6]H)(C[6]C[6]HO)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2970	0.000	1	109.2970	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.8520	0.000	1	108.8520	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.9745	0.298	2	110.3265	0.885	4	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	111.6960	0.000	1	110.3265	0.885	4	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.6610	0.000	1	110.3265	0.885	4	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H)	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.7495	0.310	2	109.7495	0.096	2	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	111.2550	0.000	1	111.2550	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	107.5755	3.931	2	107.5755	15.451	2	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]I)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[5,6]I)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	107.9410	0.000	1	107.9410	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1095	0.132	2	109.1095	0.017	2	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	107.6790	0.000	1	107.6790	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]I)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[5,6]I)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.3570	0.000	1	108.3570	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]HO)(H){1|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.5820	0.000	1	109.5820	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5700	0.000	1	109.5700	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.9880	0.000	1	107.9880	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.0200	0.000	1	107.4975	0.456	2	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	107.9750	0.000	1	107.4975	0.456	2	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){4|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	107.6920	0.829	2	107.6920	0.687	2	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.4390	0.000	1	108.4390	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2O)	108.5960	0.000	1	108.5960	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){1|O<2>,3|C<3>}	H(C[6]C[6]2O)	107.4940	0.000	1	107.4940	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CS)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CS)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|S<2>,2|C<3>}	H(C[6]C[6]2O)	108.9490	0.000	1	108.9490	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	108.6670	0.000	1	108.6670	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2O)	109.3870	0.000	1	109.3870	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	108.9250	0.000	1	108.9250	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.6980	0.000	1	109.6980	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.3223	0.025	3	109.3223	0.001	3	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.6420	0.000	1	109.6420	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	109.0710	0.000	1	109.0710	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2O)	110.3420	0.000	1	110.3420	0.000	1	109.1343	1.385	55	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:I-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HO)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HO)(I){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	109.9060	0.000	1	109.9060	0.000	1	109.9060	0.000	1	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(OC)(H)	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(OC)(H){4|C<4>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HO)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.6530	0.144	2	108.6530	0.021	2	108.6483	0.010	3	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(OH)(H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(OH)(H){1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HO)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2O)	108.6390	0.000	1	108.6390	0.000	1	108.6483	0.010	3	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(OH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(OH)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2O)	108.7870	0.000	1	108.7870	0.000	1	108.7870	0.000	1	108.7323	1.317	112	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:2:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OC)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(OH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OC)(H){7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(OH){2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]O)	105.1920	0.764	2	105.1920	0.583	2	105.1920	0.583	2	106.6442	2.180	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:2:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[5,6]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(CN)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(CN)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(CN){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	106.8630	0.000	1	106.8630	0.000	1	106.8630	0.000	1	106.6442	2.180	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:2:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CN)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(CN)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CN)(H){1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(CN){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3510	0.000	1	108.3510	0.000	1	108.3510	0.000	1	106.6442	2.180	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]HO)(OC)	H(C[6]C[6]2O)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]HO)(OC){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	106.6442	2.180	5	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[5,6,6]C)(C[6]C[5,6]HO)(CCH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6,6]C)(C[6]C[5,6]HO)(CCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]O)	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	108.6468	2.390	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO){1|H<1>,1|N<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.1950	0.000	1	109.5720	1.110	3	108.1402	4.509	5	108.6468	2.390	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H){3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO){1|H<1>,1|N<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.7605	1.416	2	109.5720	1.110	3	108.1402	4.509	5	108.6468	2.390	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OH)(H){3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]HO)(COO){1|H<1>,1|N<4>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]O)	105.9925	0.664	2	105.9925	0.441	2	108.1402	4.509	5	108.6468	2.390	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]HO)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.5360	0.000	1	108.5360	0.000	1	109.4652	0.483	4	108.6468	2.390	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.9875	0.159	2	109.9875	0.025	2	109.4652	0.483	4	108.6468	2.390	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]OO)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]OO)(C[6]C[6]C)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CCO){2|C<3>,2|O<2>}	H(C[6]C[6]2O)	109.3500	0.000	1	109.3500	0.000	1	109.4652	0.483	4	108.6468	2.390	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(C[6]C[6]2)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(C[6]C[6]2){4|C<4>,7|H<1>}	H(C[6]C[6]2O)	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	108.6468	2.390	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:4:	4:	C[5,6]-4:C[6]-3:O[6]-2:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C)(O[6]C[6])(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]C[6]O[6])	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O[6]H)(CH3){2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]O[6])	107.4805	0.023	2	107.4805	0.001	2	107.4805	0.001	2	107.8519	0.873	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.1375	1.286	2	109.1375	1.654	2	107.8984	0.968	16	107.8519	0.873	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OO)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OO)(H){1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.1760	0.000	1	106.1760	0.000	1	107.8984	0.968	16	107.8519	0.873	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.0440	0.000	1	108.0440	0.000	1	107.8984	0.968	16	107.8519	0.873	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	106.9550	0.000	1	106.9550	0.000	1	107.8984	0.968	16	107.8519	0.873	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.5380	0.225	2	108.5240	0.026	3	107.8984	0.968	16	107.8519	0.873	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.4960	0.000	1	108.5240	0.026	3	107.8984	0.968	16	107.8519	0.873	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.2140	0.000	1	108.2140	0.000	1	107.8984	0.968	16	107.8519	0.873	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1650	0.000	1	109.1650	0.000	1	107.8984	0.968	16	107.8519	0.873	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CHHO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	107.2160	0.000	1	107.2160	0.000	1	107.8984	0.968	16	107.8519	0.873	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>}	H(C[6]C[6]2O)	107.1940	0.185	2	107.1940	0.034	2	107.8984	0.968	16	107.8519	0.873	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2O)	107.0660	0.042	2	107.0660	0.002	2	107.8984	0.968	16	107.8519	0.873	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.2370	0.000	1	108.2370	0.000	1	107.8984	0.968	16	107.8519	0.873	18	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[5,6]N[6])(C[6]O[6]O)(OC)(H)	C[6](C[6]C[3x6]HO)(O[6]C[6,6])(O)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]C[5,6]N[6])(C[6]O[6]O)(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HO)(O[6]C[6,6])(O){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]O)	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H)	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(O)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H){1|C<3>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]O)	108.2170	3.393	2	108.2170	11.510	2	107.3167	8.187	3	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(OH)(H)	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(O)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(O){1|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]O)	105.5160	0.000	1	105.5160	0.000	1	107.3167	8.187	3	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(OH)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(OH)(H){2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	106.3180	0.000	1	106.3180	0.000	1	106.3180	0.000	1	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:C-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CN)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CN)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[3,6]O)(C[6]O[6]O)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,3x6]C[3,6]O)(C[6]O[6]O)(OH)(H){1|O<2>,5|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.5820	0.000	1	108.5820	0.000	1	108.7890	0.039	3	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]O[6]O)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]O[6]O)(OH)(H){1|C<3>,4|C<4>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]O)	108.9750	0.000	1	108.9750	0.000	1	108.7890	0.039	3	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]O[6]O)(OH)(H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]O[6]O)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(O){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	108.8100	0.000	1	108.8100	0.000	1	108.7890	0.039	3	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:N[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NC)(H)	C[6](C[6]C[6]HN)(N[6]S[6])(O)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NC)(H){1|S<4>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]S[6])(O){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.4460	0.000	1	107.4460	0.000	1	107.4460	0.000	1	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC[6])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	105.6810	0.000	1	105.6810	0.000	1	107.4165	2.992	4	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O)	106.3340	0.000	1	106.3340	0.000	1	107.4165	2.992	4	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.4670	0.000	1	109.4670	0.000	1	107.4165	2.992	4	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(O)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]HO)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.1840	0.000	1	108.1840	0.000	1	107.4165	2.992	4	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O)	H(C[6]C[6]2O[6])	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(O[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O[6])	107.6245	0.066	2	107.6245	0.004	2	107.6884	0.028	11	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O){1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2O[6])	107.5120	0.000	1	107.7026	0.033	9	107.6884	0.028	11	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O){1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2O[6])	107.9020	0.223	2	107.7026	0.033	9	107.6884	0.028	11	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O){1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2O[6])	107.6812	0.147	5	107.7026	0.033	9	107.6884	0.028	11	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6]O[6]H)(O[6]C[6])(O){1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2O[6])	107.6010	0.000	1	107.7026	0.033	9	107.6884	0.028	11	107.7648	1.614	26	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:2:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]C)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(O[6]C[6])(CCH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[3,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(OH)(H)	C[6](C[6]C[3,6,6]HO)(C[6]C[6]H)(H)	H(C[6]C[3,6,6]C[6]O)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6,6]HO)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6,6]C[6]O)	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:C-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,6]H)(C[6]C[6]H)(CN)(H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]H)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,5,6]C[3,6]H)(C[6]C[6]H)(CN)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[3,6]CH)(C[6]C[5,6]H)(H){2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	107.7325	0.132	2	107.7325	0.017	2	107.7325	0.017	2	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Br)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Br){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]O)	105.9140	0.000	1	105.9140	0.000	1	105.9140	0.000	1	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Cl)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Cl)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Cl)(OH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Cl){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]O)	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OC)(H){1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[3,6]C[6]O)	110.3030	0.000	1	110.3030	0.000	1	107.9583	6.000	3	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]Br)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]Br)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]O)	105.4160	0.000	1	105.4160	0.000	1	107.9583	6.000	3	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]Cl)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]Cl)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3,6]C[6]O)	108.1560	0.000	1	108.1560	0.000	1	107.9583	6.000	3	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[5,6]H)(H)	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H){2|H<1>,2|O<2>,6|C<4>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[5,6]H)(H){1|H<1>,4|C<4>}	H(C[6]C[5,5,6,6]C[6]O)	108.2510	0.000	1	108.2510	0.000	1	108.6813	0.096	9	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(OSi)(H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(OSi)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,5,6,6]C[6]O)	108.7351	0.282	8	108.7351	0.080	8	108.6813	0.096	9	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6]C[3x5,6]C[5,6a]C[5])(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]H)(H)	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[3x5,6]C[5,6a]C[5])(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,5,6]C[6]O)	107.2880	0.000	1	107.2880	0.000	1	109.0353	2.314	3	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]C)(H)	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H){1|O<1>,2|H<1>,6|C<4>}	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]O)	110.0630	0.000	1	110.0630	0.000	1	109.0353	2.314	3	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]H)(H)	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]H)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,5,6]C[6]O)	109.7550	0.000	1	109.7550	0.000	1	109.0353	2.314	3	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	106.1870	0.000	1	106.1870	0.000	1	108.3521	0.989	13	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]N[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6,6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]N[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6,6]H)(H){1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	108.8295	0.103	2	108.8295	0.011	2	108.3521	0.989	13	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	108.5205	0.228	2	108.5205	0.052	2	108.3521	0.989	13	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]C)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	110.1900	0.000	1	110.1900	0.000	1	108.3521	0.989	13	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	108.0155	0.146	2	108.2143	0.517	7	108.3521	0.989	13	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	109.2120	0.168	2	108.2143	0.517	7	108.3521	0.989	13	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	107.6817	0.254	3	108.2143	0.517	7	108.3521	0.989	13	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(Br)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]N)	107.2830	0.000	1	107.2830	0.000	1	107.2830	0.000	1	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(Br)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(OH)(H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[5,6]C[6]O)	108.0327	0.436	3	108.0327	0.190	3	108.0327	0.190	3	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[3x6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[3x6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.2167	0.159	3	108.2167	0.025	3	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[3x6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[3x6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	106.4021	1.344	14	106.4021	1.808	14	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]O)	107.0600	0.000	1	107.0600	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H){1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]O)	108.7080	0.000	1	108.7080	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	107.8930	0.000	1	107.8930	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H){1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]O)	107.7970	0.000	1	107.7970	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]O)	106.9250	0.000	1	106.9250	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O)	109.6945	0.152	2	109.3667	0.151	4	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]O)	109.0390	0.027	2	109.3667	0.151	4	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){5|C<4>}	H(C[6]C[5,6]C[6]O)	108.5750	0.000	1	108.5750	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.8430	0.000	1	108.8430	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]O)	108.6550	0.328	2	108.6550	0.108	2	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	110.0710	0.000	1	110.0710	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.6700	0.000	1	109.6700	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]O)	110.2160	0.000	1	110.2160	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.7740	0.812	6	108.7740	0.660	6	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]O)	108.2500	0.000	1	108.2500	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.3570	0.000	1	108.3570	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	111.2560	0.000	1	111.2560	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(OH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]O)	105.9820	0.000	1	105.9820	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	108.4540	0.000	1	108.4540	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OC)(H){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H){2|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]O)	109.7880	0.000	1	109.7880	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OH)(H){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H){2|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]O)	107.6690	0.000	1	107.6690	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.7560	0.000	1	109.7735	0.001	2	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]O)	109.7910	0.000	1	109.7735	0.001	2	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.6000	0.000	1	109.6000	0.000	1	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]O)	108.2150	0.000	1	107.8877	1.098	4	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]O)	109.2160	0.000	1	107.8877	1.098	4	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]O)	107.0600	0.231	2	107.8877	1.098	4	108.0738	2.329	53	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]O)	107.2010	0.000	1	107.2010	0.000	1	107.2010	0.000	1	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(H){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.1810	0.000	1	109.1810	0.000	1	108.0258	0.742	16	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(H){1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.2250	0.000	1	107.2250	0.000	1	108.0258	0.742	16	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.4340	0.594	3	107.4340	0.353	3	108.0258	0.742	16	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.3795	0.057	2	108.3795	0.003	2	108.0258	0.742	16	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	108.2570	0.000	1	108.2570	0.000	1	108.0258	0.742	16	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	107.8370	0.000	1	107.8370	0.000	1	108.0258	0.742	16	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]O)	108.5600	0.000	1	108.5600	0.000	1	108.0258	0.742	16	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]C[6]O)	108.8200	0.000	1	108.8200	0.000	1	108.0258	0.742	16	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]O)	109.4250	0.000	1	108.6745	1.127	2	108.0258	0.742	16	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]O)	107.9240	0.000	1	108.6745	1.127	2	108.0258	0.742	16	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]O)	106.6930	0.324	2	106.6930	0.105	2	108.0258	0.742	16	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(OC)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.7370	0.000	1	108.7370	0.000	1	108.0258	0.742	16	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O){4|C<4>}	H(C[6]C[6,6]C[6]O)	107.9410	0.000	1	107.9410	0.000	1	108.1768	0.090	5	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O){4|C<4>}	H(C[6]C[6,6]C[6]O)	107.7890	0.000	1	107.7890	0.000	1	108.1768	0.090	5	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	108.5130	0.000	1	108.5130	0.000	1	108.1768	0.090	5	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	108.3205	0.033	2	108.3205	0.001	2	108.1768	0.090	5	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:Se-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SeC[6a])(H)	C[6](C[6]C[6,6]SeH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]Se)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SeC[6a])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]SeH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]Se)	108.7480	0.000	1	108.7480	0.000	1	108.7480	0.000	1	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){1|C<3>,3|C<4>}	H(C[6]C[6]2C)	106.8540	0.000	1	106.8540	0.000	1	103.6410	32.488	3	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.0090	0.000	1	107.0090	0.000	1	103.6410	32.488	3	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	97.0600	0.000	1	97.0600	0.000	1	103.6410	32.488	3	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:Ge-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(GeN)(H)	C[6](C[6]C[6]GeH)(C[6]C[6]H)(H)	H(C[6]C[6]2Ge)	C[6](C[6]C[6]HH)(C[6]C[6]H)(GeN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]GeH)(C[6]C[6]H)(H){1|Ge<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2Ge)	110.0750	1.000	2	110.0750	1.000	2	110.0750	1.000	2	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	110.5250	0.000	1	108.5880	7.504	2	108.5880	7.504	2	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	106.6510	0.000	1	108.5880	7.504	2	108.5880	7.504	2	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2N[6])	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.3240	0.000	1	108.3240	0.000	1	109.5318	0.703	5	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br){1|C<4>,1|I<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.8337	0.574	4	109.8337	0.330	4	109.5318	0.703	5	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	108.8425	0.006	2	108.8425	0.000	2	108.8425	0.000	2	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|F<1>}	H(C[6]C[6]2O)	108.2510	0.000	1	108.2510	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]2H)(C[6]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.9850	0.000	1	107.9850	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2O)	114.0260	0.000	1	114.0260	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.0595	1.958	4	110.0595	3.833	4	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.5240	0.000	1	108.5240	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2O)	109.1520	0.475	4	109.1520	0.225	4	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.9310	0.000	1	108.9310	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.6440	0.000	1	108.6440	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2O)	108.7600	0.000	1	106.6770	8.678	2	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2O)	104.5940	0.000	1	106.6770	8.678	2	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.6190	0.382	2	109.6190	0.146	2	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.8455	0.315	2	108.8455	0.099	2	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]2)(H){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2O)	108.2190	0.000	1	108.2190	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.6670	0.000	1	108.6670	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	109.1350	0.000	1	109.1350	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	111.6245	3.697	2	111.6245	13.671	2	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.8490	0.000	1	109.8490	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	107.6750	0.000	1	107.6750	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.4440	0.000	1	108.2382	0.682	5	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.6230	0.205	2	108.2382	0.682	5	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	106.7830	0.000	1	108.2382	0.682	5	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.7180	0.000	1	108.2382	0.682	5	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	109.2680	0.256	4	109.2680	0.066	4	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|N<3>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	108.6800	0.000	1	108.6800	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]Br)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Br<1>,1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HO)(C[6]C[6]Br)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8972	0.218	4	108.8972	0.047	4	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.8990	0.000	1	109.7530	0.642	3	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.4880	0.000	1	109.7530	0.642	3	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.8720	0.000	1	109.7530	0.642	3	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	109.5240	0.000	1	109.9180	1.250	12	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	109.8240	0.000	1	109.9180	1.250	12	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	111.1690	0.000	1	109.9180	1.250	12	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.0180	1.680	4	109.9180	1.250	12	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.0640	0.000	1	109.9180	1.250	12	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Cl<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.1710	0.000	1	109.9180	1.250	12	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1410	0.730	2	109.9180	1.250	12	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.9100	0.000	1	109.9180	1.250	12	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8965	0.865	2	108.8965	0.748	2	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.4470	0.000	1	109.4470	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8820	0.000	1	108.8820	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.3260	0.330	2	108.8090	0.778	4	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.2920	1.137	2	108.8090	0.778	4	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	106.5315	1.165	2	107.5771	1.852	8	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.0870	0.000	1	107.5771	1.852	8	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	106.9965	1.916	2	107.5771	1.852	8	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.1450	0.000	1	107.5771	1.852	8	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	108.7450	0.000	1	107.5771	1.852	8	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.5840	0.000	1	107.5771	1.852	8	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.2190	0.000	1	109.2190	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	109.3010	0.013	2	109.3010	0.000	2	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.5020	0.000	1	108.5020	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2O)	107.5550	0.314	2	107.5550	0.099	2	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.3950	0.000	1	109.3950	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.4245	0.156	2	110.5994	0.040	5	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	110.6380	0.000	1	110.5994	0.040	5	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	110.6470	0.000	1	110.5994	0.040	5	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	110.8630	0.000	1	110.5994	0.040	5	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]N)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>}	C[6](C[6]C[6]HO)(C[6]C[6]N)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.3440	0.000	1	109.3440	0.000	1	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.5450	0.000	2	109.5450	0.000	2	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	108.9300	0.000	1	107.7272	0.722	4	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	107.6330	0.000	1	107.7272	0.722	4	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2O)	107.3910	0.000	1	107.7272	0.722	4	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.9550	0.000	1	107.7272	0.722	4	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){2|O<2>,3|H<1>}	H(C[6]C[6]2O)	107.2335	0.390	2	107.2335	0.152	2	109.0398	2.114	93	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:I-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(I){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.7830	0.000	1	107.7830	0.000	1	109.1192	1.027	6	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:I-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]I)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]I)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(I){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.9890	0.000	1	109.9890	0.000	1	109.1192	1.027	6	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:I-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]H)(I){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.4640	0.000	1	110.4640	0.000	1	109.1192	1.027	6	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:I-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(I){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	108.8100	0.000	1	108.8263	0.264	3	109.1192	1.027	6	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:I-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(I)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(I){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8345	0.726	2	108.8263	0.264	3	109.1192	1.027	6	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	104.3020	0.000	1	104.3020	0.000	1	108.0012	2.014	9	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.6170	0.047	2	108.6170	0.002	2	108.0012	2.014	9	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.3210	0.058	2	108.3498	0.133	5	108.0012	2.014	9	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.0120	0.000	1	108.3498	0.133	5	108.0012	2.014	9	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	108.1380	0.000	1	108.3498	0.133	5	108.0012	2.014	9	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.9570	0.000	1	108.3498	0.133	5	108.0012	2.014	9	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.7260	0.000	1	108.7260	0.000	1	108.0012	2.014	9	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.2120	0.000	1	107.9535	0.134	2	108.2767	0.703	6	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.6950	0.000	1	107.9535	0.134	2	108.2767	0.703	6	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	106.9540	0.000	1	106.9540	0.000	1	108.2767	0.703	6	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H){1|C<4>,4|C<3>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.0600	0.000	1	108.9330	0.066	3	108.2767	0.703	6	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	108.8695	0.327	2	108.9330	0.066	3	108.2767	0.703	6	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:N[6]-3:S-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(S)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(S){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]O[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)	H(C[6]C[6]2O[6])	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]O[6])(H){1|H<1>,7|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2O[6])	106.5190	0.235	3	106.5190	0.055	3	106.5190	0.055	3	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	110.1980	0.000	1	110.1980	0.000	1	109.1367	0.853	3	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a])(H)	C[6](C[6]C[6]HS)(C[6]O[6]H)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2S)	108.6060	0.129	2	108.6060	0.017	2	109.1367	0.853	3	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:1:	4:	P-4:C[6]-3:C[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](PC[6a]2Rh)(C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](PC[6a]2Rh)(C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	H(C[6]C[6]2P)	119.3490	0.000	1	119.3490	0.000	1	119.3490	0.000	1	108.5452	2.954	250	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:2:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(OC)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]O)(OH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]C[6]O)	108.3390	0.000	1	108.3390	0.000	1	108.3390	0.000	1	108.3651	1.926	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:2:	4:	C[4]-4:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[4]C[4]S[4]H)(C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6]C[4]N[6]H)(C[6a]C[6a]2)(N[6]N[6])	H(C[6]C[4]C[6]N[6])	C[6](C[4]C[4]S[4]H)(C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[4]N[6]H)(C[6a]C[6a]2)(N[6]N[6]){1|S<2>,4|C<3>,4|H<1>}	H(C[6]C[4]C[6]N[6])	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	108.3651	1.926	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:2:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OSi)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OSi){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]O)	108.6620	0.000	1	108.6620	0.000	1	109.3760	1.020	2	108.3651	1.926	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:2:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(OC)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	110.0900	0.000	1	110.0900	0.000	1	109.3760	1.020	2	108.3651	1.926	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O)	107.5000	0.000	1	107.5000	0.000	1	108.2530	1.134	2	108.3651	1.926	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OC)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.0060	0.000	1	109.0060	0.000	1	108.2530	1.134	2	108.3651	1.926	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.8045	0.018	2	108.8045	0.000	2	108.8045	0.000	2	108.3651	1.926	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2O)	108.5357	0.378	3	108.5357	0.143	3	108.7584	0.250	5	108.3651	1.926	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.6780	0.000	1	108.6780	0.000	1	108.7584	0.250	5	108.3651	1.926	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.5070	0.000	1	109.5070	0.000	1	108.7584	0.250	5	108.3651	1.926	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:2:	4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(SC[6a])(H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(OH)	H(C[6]C[6]2S)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(SC[6a])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]HS)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2S)	106.0250	0.387	3	106.0250	0.150	3	106.0250	0.150	3	108.3651	1.926	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCC)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCC){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CP[6]C)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(CP[6]C){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]O[6]C)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]C)(COO){1|O<2>,2|C<4>}	H(C[6]C[6]2O)	108.3970	0.000	1	108.3970	0.000	1	108.5545	1.632	15	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,1|I<1>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(CCO){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.2350	0.000	1	109.2350	0.000	1	108.5545	1.632	15	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.1420	0.000	1	108.1420	0.000	1	108.5545	1.632	15	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.8920	0.000	1	108.8920	0.000	1	108.5545	1.632	15	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCC)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCC){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.1160	0.000	1	109.1160	0.000	1	108.5545	1.632	15	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(COO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.9270	0.000	1	109.9270	0.000	1	108.5545	1.632	15	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(CHO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]H)(CHO){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	110.6050	0.000	1	110.6050	0.000	1	108.5545	1.632	15	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	110.4050	0.000	1	110.4050	0.000	1	108.5545	1.632	15	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	106.6570	0.000	1	107.5755	1.687	2	108.5545	1.632	15	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.4940	0.000	1	107.5755	1.687	2	108.5545	1.632	15	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	106.5640	0.000	1	107.5847	0.844	3	108.5545	1.632	15	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.0950	0.354	2	107.5847	0.844	3	108.5545	1.632	15	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	106.5950	0.000	1	106.5950	0.000	1	108.5545	1.632	15	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]H)(CHO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]H)(CHO){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.0990	0.000	1	109.0990	0.000	1	108.5545	1.632	15	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NHS)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(NHS){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2310	0.000	1	109.2310	0.000	1	109.4600	0.105	2	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH){2|C<3>,2|H<1>}	H(C[6]C[6]2O)	109.6890	0.000	1	109.6890	0.000	1	109.4600	0.105	2	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:S-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a]O){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	107.9565	0.339	2	107.9565	0.115	2	107.9565	0.115	2	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC[6a]H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC[6a]H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.6230	0.000	1	109.6230	0.000	1	109.4330	0.361	3	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H){1|C<4>,1|S<4>,2|C<3>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2O)	109.9160	0.000	1	109.9160	0.000	1	109.4330	0.361	3	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]N[6]C)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(COO)	H(C[6]C[6]2O)	C[6](C[6]O[6]CC)(C[6]N[6]C)(OC)(H){1|C<4>,1|O<1>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(COO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	108.7600	0.000	1	108.7600	0.000	1	109.4330	0.361	3	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2O[6])	107.7770	0.000	1	107.7770	0.000	1	107.7770	0.000	1	108.6318	1.288	25	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,5,6]H)(CH3)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,5,6]H)(CH3){1|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]O)	107.7080	0.000	1	107.7080	0.000	1	108.5860	1.542	2	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CH3)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]O)	109.4640	0.000	1	109.4640	0.000	1	108.5860	1.542	2	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]O[5]H)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CHHO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[3,5,6]O[5]H)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CHHO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]O)	109.7380	0.000	1	109.7380	0.000	1	108.5000	3.065	2	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]O)	107.2620	0.000	1	107.2620	0.000	1	108.5000	3.065	2	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	107.0230	0.000	1	107.0230	0.000	1	107.3666	1.863	7	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	107.6820	0.000	1	107.6820	0.000	1	107.3666	1.863	7	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]O)	106.3995	2.043	2	106.3995	4.173	2	107.3666	1.863	7	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CHHO){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]O)	107.5045	1.426	2	107.5045	2.034	2	107.3666	1.863	7	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]O)	109.0530	0.000	1	109.0530	0.000	1	107.3666	1.863	7	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.4860	0.000	1	108.4860	0.000	1	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.8690	0.000	2	108.8690	0.000	2	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	108.1855	0.387	2	108.1855	0.150	2	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.3800	0.000	1	108.3800	0.000	1	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]C)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]O[6]C)(CH3){1|H<1>,2|C<4>}	H(C[6]C[6]2O)	108.8630	0.000	1	108.8630	0.000	1	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.2180	0.000	1	109.2180	0.000	1	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.0700	1.307	2	108.3377	4.968	10	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.2803	2.645	7	108.3377	4.968	10	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.2750	0.000	1	108.3377	4.968	10	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]C[6]2)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	108.4640	0.000	1	108.4640	0.000	1	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	108.4470	0.110	2	108.5655	0.035	4	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.6840	0.191	2	108.5655	0.035	4	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	108.1740	0.000	1	108.1740	0.000	1	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.9445	3.038	4	109.7072	5.755	6	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	109.2325	0.641	2	109.7072	5.755	6	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.7640	0.000	1	108.7640	0.000	1	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.7560	0.000	1	109.7560	0.000	1	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	107.5730	0.000	1	107.5730	0.000	1	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	107.6880	0.000	1	108.3143	0.231	4	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|F<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	108.4775	0.397	2	108.3143	0.231	4	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2O)	108.6140	0.000	1	108.3143	0.231	4	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	106.6810	0.000	1	106.6810	0.000	1	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHS)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHS){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.6830	0.000	1	109.6830	0.000	1	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HO)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.5720	0.000	1	108.5720	0.000	1	108.6466	2.338	40	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2O)	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	108.4779	2.302	52	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OC)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]HO)(O)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OC)(H){1|C<3>,7|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]HO)(O){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]O)	109.7240	0.000	1	109.7240	0.000	1	108.2105	4.581	2	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]HO)(O)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OH)(H){2|C<3>,6|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]HO)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]O)	106.6970	0.000	1	106.6970	0.000	1	108.2105	4.581	2	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(OC)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(OC)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(O){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]O)	109.0450	0.000	1	109.0450	0.000	1	109.0450	0.000	1	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H){1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(O){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]O)	109.3250	0.000	1	109.3250	0.000	1	108.0126	0.389	9	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]O)	106.9200	0.000	1	106.9200	0.000	1	108.0126	0.389	9	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]O)	107.9811	0.179	7	107.9811	0.032	7	108.0126	0.389	9	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)(O[6]C[6])(H)	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(O)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)(O[6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]O[6]H)(C[6]O[6]HH)(O){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[5]C[6]O[6])	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[3,6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]O)(OH)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HO)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]O)(OH)(H){8|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HO)(O){4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]O)	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(OH)(H){1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	107.8990	0.718	2	107.8990	0.516	2	107.8990	0.516	2	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O){3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]O)	110.2530	0.000	1	110.2530	0.000	1	108.5956	1.001	5	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O){1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]O)	107.7880	0.000	1	107.7880	0.000	1	108.5956	1.001	5	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H){1|C<3>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	108.7820	0.000	1	108.7820	0.000	1	108.5956	1.001	5	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O){1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]O)	107.9480	0.000	1	108.0775	0.034	2	108.5956	1.001	5	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O){8|C<4>}	H(C[6]C[6,6]C[6]O)	108.2070	0.000	1	108.0775	0.034	2	108.5956	1.001	5	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(O){1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]O)	109.1190	0.000	1	109.1190	0.000	1	109.2615	0.041	2	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|H<1>,7|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]O)	109.4040	0.000	1	109.4040	0.000	1	109.2615	0.041	2	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(OH)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2O)	109.5930	0.000	1	109.5930	0.000	1	109.5930	0.000	1	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	108.2090	0.000	1	108.2090	0.000	1	108.4280	0.096	2	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	108.6470	0.000	1	108.6470	0.000	1	108.4280	0.096	2	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(O){5|C<4>}	H(C[6]C[6]2O)	107.6360	0.042	2	107.6360	0.002	2	108.3504	1.963	16	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	107.8290	0.000	1	107.8290	0.000	1	108.3504	1.963	16	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.2540	0.000	1	109.2540	0.000	1	108.3504	1.963	16	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2O)	109.7900	0.000	1	109.7900	0.000	1	108.3504	1.963	16	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2O)	108.5780	0.006	2	108.8325	0.088	4	108.3504	1.963	16	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2O)	109.0870	0.078	2	108.8325	0.088	4	108.3504	1.963	16	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.5500	0.000	1	109.5500	0.000	1	108.3504	1.963	16	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	C[6](C[6]C[6]HO)2(O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)2(O){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	107.7637	2.028	6	107.7637	4.114	6	108.3504	1.963	16	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6]CO)(C[6]C[6]O)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2S)	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	108.4744	1.223	44	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:2:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(CC)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(CC){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[3,6]C[6]O)	109.1710	0.000	1	109.1710	0.000	1	109.1710	0.000	1	107.0299	28.551	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:2:	4:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NMn)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMn)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NMn)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NMn){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	91.0671	0.000	1	91.0671	0.000	1	91.0671	0.000	1	107.0299	28.551	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	106.9550	0.000	1	106.9550	0.000	1	106.9550	0.000	1	107.0299	28.551	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[5a])	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[5a]){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	108.2350	0.000	1	108.2350	0.000	1	108.6845	0.404	2	107.0299	28.551	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O)	109.1340	0.000	1	109.1340	0.000	1	108.6845	0.404	2	107.0299	28.551	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OFe)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OFe)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OFe)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OFe){1|C<4>,4|H<1>}	H(C[6]C[6]2O)	107.9700	0.000	1	107.9700	0.000	1	108.6935	1.047	2	107.0299	28.551	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2O)	109.4170	0.000	1	109.4170	0.000	1	108.6935	1.047	2	107.0299	28.551	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:2:	4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.6670	0.000	1	108.6670	0.000	1	108.8450	0.155	4	107.0299	28.551	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:2:	4:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC[6a])(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NN[5])	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC[6a])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NN[5]){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	108.9043	0.460	3	108.9043	0.211	3	108.8450	0.155	4	107.0299	28.551	11	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(H)	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(CHH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(CHH){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]O)	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	108.8580	1.871	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CN)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.1300	0.000	1	107.1300	0.000	1	107.1300	0.000	1	108.8580	1.871	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CHH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	109.6590	0.000	1	109.6590	0.000	1	109.0141	1.774	11	108.8580	1.871	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CHH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	106.8050	0.000	1	106.8050	0.000	1	109.0141	1.774	11	108.8580	1.871	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.1270	0.000	1	109.1270	0.000	1	109.0141	1.774	11	108.8580	1.871	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.7280	0.000	1	109.7280	0.000	1	109.0141	1.774	11	108.8580	1.871	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5a]H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2O)	109.8390	0.007	2	109.8390	0.000	2	109.0141	1.774	11	108.8580	1.871	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.7175	0.556	2	109.7175	0.310	2	109.0141	1.774	11	108.8580	1.871	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.4680	0.000	1	109.3545	0.026	2	109.0141	1.774	11	108.8580	1.871	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2O)	109.2410	0.000	1	109.3545	0.026	2	109.0141	1.774	11	108.8580	1.871	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHH){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2O)	106.0140	0.000	1	106.0140	0.000	1	109.0141	1.774	11	108.8580	1.871	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[5,6]C[6,6]H)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]C[6,6]H)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2O)	107.1530	0.000	1	107.1530	0.000	1	108.7565	5.142	2	108.8580	1.871	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HO)(C[6]S[6]2H)(C[6]C[6]H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]2H)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2O)	110.3600	0.000	1	110.3600	0.000	1	108.7565	5.142	2	108.8580	1.871	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(CC[6a]O)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(CC[6a]O)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){2|C<3>,2|C<4>}	H(C[6]C[6]2C)	108.5860	0.000	1	108.5860	0.000	1	108.4184	3.058	8	108.2715	2.477	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.1355	0.211	2	107.8343	0.294	3	108.4184	3.058	8	108.2715	2.477	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.2320	0.000	1	107.8343	0.294	3	108.4184	3.058	8	108.2715	2.477	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(COO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(COO)(H){1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	105.5100	0.000	1	105.5100	0.000	1	108.4184	3.058	8	108.2715	2.477	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.5550	0.000	1	108.5550	0.000	1	108.4184	3.058	8	108.2715	2.477	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(COO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(COO)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	110.5965	1.343	2	110.5965	1.803	2	108.4184	3.058	8	108.2715	2.477	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	2:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(NCH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(NCH)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2N)	107.5750	0.000	1	107.5750	0.000	1	107.5750	0.000	1	108.2715	2.477	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	2:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	S[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H)	C[6](S[6]C[5a,6])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H){4|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]HN)(O){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2N)	107.7930	0.000	1	107.7930	0.000	1	107.7930	0.000	1	108.2715	2.477	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	2:4:3:	4:	C[6]-4:C[6]-3:N-3:H-1:	O[6]-2:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(NOO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CC[6a]H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(NOO)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CC[6a]H){1|H<1>,3|C<3>}	H(C[6]C[6]2N)	108.2888	0.287	4	108.2888	0.083	4	108.2888	0.083	4	108.2888	0.083	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(COO)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(COO)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2C)	106.4120	0.000	1	106.4120	0.000	1	106.4120	0.000	1	106.5255	0.026	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H)	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)	H(C[6]C[6]2N)	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H){1|O<2>,2|O<1>,5|C<3>}	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN){1|S<4>,3|H<1>,5|C<3>}	H(C[6]C[6]2N)	106.6390	0.000	1	106.6390	0.000	1	106.6390	0.000	1	106.5255	0.026	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:B[5]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(B[5]O[5]2)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]B[5]H)(H)	H(C[6]C[5,6]B[5]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(B[5]O[5]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]B[5]H)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[5,6]B[5]C[6])	106.2630	0.000	1	106.2630	0.000	1	106.2630	0.000	1	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]CH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]CH)(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	109.2420	0.000	1	109.2420	0.000	1	109.2420	0.000	1	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6]C[6a]H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.3350	0.426	2	107.3350	0.181	2	107.3350	0.181	2	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[3x6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[3x6]H)(COO)(H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[3x6]H)(COO)(H){1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]CH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.4920	0.000	1	108.4920	0.000	1	108.4920	0.000	1	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(COO)(H)	C[6](C[6,6]C[5,6,6]N[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]H)(COO)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]N[6])(C[6]C[6]CH)(H){2|H<1>,5|C<4>}	H(C[6]C[6]2C)	108.6750	0.000	1	108.6750	0.000	1	108.6750	0.000	1	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CNO)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	105.8890	0.000	1	105.8890	0.000	1	105.8890	0.000	1	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3270	0.000	1	107.3270	0.000	1	108.5621	1.675	13	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4120	0.000	1	107.4120	0.000	1	108.5621	1.675	13	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6,6]Cl)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[5,6,6]Cl)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.3460	0.000	1	108.3460	0.000	1	108.5621	1.675	13	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.8580	0.000	1	108.8580	0.000	1	108.5621	1.675	13	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.8495	0.605	2	107.8495	0.366	2	108.5621	1.675	13	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.2850	0.000	1	108.2850	0.000	1	108.5621	1.675	13	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	110.3100	0.000	1	110.3100	0.000	1	108.5621	1.675	13	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6]2C)	106.7350	0.000	1	106.7350	0.000	1	108.5621	1.675	13	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2C)	111.2550	0.000	1	111.2550	0.000	1	108.5621	1.675	13	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]CH)(H){1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[6]2C)	108.1300	0.000	1	108.1300	0.000	1	108.5621	1.675	13	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H){1|H<1>,4|C<3>}	H(C[6]C[6]2C)	109.7560	0.000	1	109.7560	0.000	1	108.5621	1.675	13	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(COO)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	109.1940	0.000	1	109.1940	0.000	1	108.5621	1.675	13	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(COO)(H){1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2C)	107.2350	0.000	1	107.2350	0.000	1	107.4680	0.109	2	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(COO)(H){1|C<4>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.7010	0.000	1	107.7010	0.000	1	107.4680	0.109	2	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[5,6]-3:C[6]-4:S-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[5,6]S)(CC[6a]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(S)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]N[5,6]S)(CC[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.7770	0.000	1	108.7770	0.000	1	108.7770	0.000	1	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(COO)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(COO)(H){1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.1355	0.257	2	107.1355	0.066	2	107.1355	0.066	2	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.7890	0.000	1	107.2205	0.372	2	107.2205	0.372	2	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2C)	107.6520	0.000	1	107.2205	0.372	2	107.2205	0.372	2	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CCO)(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CCO)(H){5|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2C)	107.6690	0.000	1	107.6690	0.000	1	108.1542	0.159	6	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CNO)(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CNO)(H){5|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.2030	0.369	2	108.2030	0.136	2	108.1542	0.159	6	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]O)(CNO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]N[6]O)(CNO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	108.0940	0.390	2	108.0940	0.152	2	108.1542	0.159	6	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CNO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CNO)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.6620	0.000	1	108.6620	0.000	1	108.1542	0.159	6	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:S-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]O)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(S)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]O)(H){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(S){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2C)	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H){1|C<6>,2|H<1>,4|C<3>}	H(C[6]C[6]3)	107.7470	0.160	4	107.7470	0.025	4	107.7470	0.025	4	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|H<1>,1|S<4>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.7025	0.272	2	108.7025	0.074	2	108.7025	0.074	2	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6a]C[6]H)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6a]C[6]H)(O){1|H<1>,2|O<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	105.9045	0.131	2	105.9045	0.017	2	105.9045	0.017	2	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(NHS)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(NHS)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HN)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2N)	108.0880	0.000	1	108.0880	0.000	1	106.8290	0.679	5	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]HN)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2N)	106.5143	0.495	4	106.5143	0.245	4	106.8290	0.679	5	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(NOO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N)	107.2570	0.000	1	107.2570	0.000	1	107.2570	0.000	1	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H){1|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]HN)(O){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2N)	107.4020	0.000	1	107.4020	0.000	1	106.3440	0.593	4	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(NCH)(H)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(NCH)(H){5|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HN)(O){1|H<1>,1|S<2>,4|C<3>}	H(C[6]C[6]2N)	106.2310	0.000	1	106.2310	0.000	1	106.3440	0.593	4	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(O)	H(C[6]C[6]2N)	C[6](C[6]S[6]HH)(C[6]N[6]O)(NCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(O){1|S<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	105.8715	0.449	2	105.8715	0.202	2	106.3440	0.593	4	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[5]C[5]2)(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]N[5]H)(O)	H(C[6]C[6]2N[5])	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[5]C[5]2)(H){1|F<1>,2|C<4>,2|O<1>,3|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]N[5]H)(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	105.0270	0.000	1	105.0270	0.000	1	105.0270	0.000	1	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6]C[6]2)(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]N[6]H)(O)	H(C[6]C[6]2N[6])	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]N[6]H)(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	107.2130	0.000	1	107.2130	0.000	1	107.2130	0.000	1	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:N[6a]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6a]C[6a]2)(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6a]C[6]H)(O)	H(C[6]N[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6a]C[6]H)(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]N[6a]C[6]2)	108.1270	1.259	2	108.1270	1.584	2	108.1270	1.584	2	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[6,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	107.6791	1.409	59	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:2:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]2C)	109.0440	0.000	1	109.0440	0.000	1	109.0440	0.000	1	108.8165	0.104	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:2:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(NH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)(H){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(NH){1|H<1>,5|C<3>}	H(C[6]C[6]2C)	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	108.8165	0.104	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]CH)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]CH)(COO){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5605	1.018	2	106.5605	1.035	2	107.6166	1.524	12	107.7065	2.512	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]CH)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CO)(C[6]C[6]C)(COO)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]CH)(COO){1|O<2>,3|C<3>}	H(C[6]C[6]2C)	107.6065	0.722	4	107.6065	0.521	4	107.6166	1.524	12	107.7065	2.512	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	109.0325	0.667	2	109.0325	0.445	2	107.6166	1.524	12	107.7065	2.512	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CN[5]O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(COO)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CN[5]O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.0500	0.000	1	107.0500	0.000	1	107.6166	1.524	12	107.7065	2.512	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.7750	2.630	2	107.5790	3.575	3	107.6166	1.524	12	107.7065	2.512	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.1870	0.000	1	107.5790	3.575	3	107.6166	1.524	12	107.7065	2.512	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]CH)(NOO)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]CH)(NOO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.3080	0.000	1	108.3080	0.000	1	108.3080	0.000	1	107.7065	2.512	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CC[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CC[6a]O)(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2C)	107.5490	0.000	1	107.5490	0.000	1	110.0000	4.547	3	107.7065	2.512	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(CCH)(H){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	111.2255	0.288	2	111.2255	0.083	2	110.0000	4.547	3	107.7065	2.512	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	N[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCN)(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]CH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCN)(H){1|Ge<2>,3|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]CH)(CHH){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2C)	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	107.7065	2.512	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]N)(C[6a]C[6a]2)(H)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]N)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(NOO){1|S<2>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	107.7065	2.512	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){11|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){10|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.2367	0.427	3	106.2367	0.182	3	106.2367	0.182	3	107.7065	2.512	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]N[5,6]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.8530	0.000	1	105.8530	0.000	1	105.8530	0.000	1	107.7065	2.512	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:4:	4:	C[3,6]-4:C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[5,6]C)(CN[5]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]CH)(CH3)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[5,6]C)(CN[5]O)(H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]CH)(CH3){1|N<3>,2|H<1>,5|C<4>}	H(C[6]C[3,6]C[6]C)	108.7330	0.266	2	108.7330	0.071	2	108.7330	0.071	2	106.8893	2.955	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH)	H(C[6]C[6]2C)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]C)(COO)(H){1|C<4>,1|C<6>,4|B<6>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH){1|C<6>,2|H<1>,4|B<6>}	H(C[6]C[6]2C)	105.1235	0.415	2	105.1235	0.172	2	105.3987	0.313	3	106.8893	2.955	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.9490	0.000	1	105.9490	0.000	1	105.3987	0.313	3	106.8893	2.955	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	3:4:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6]H)(CH3)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<6>,1|H<1>,3|C<3>,4|B<6>}	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<6>,1|N<2>,2|H<1>,3|C<3>,4|B<6>}	H(C[6]C[6a]C[6]2)	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	106.8893	2.955	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C-4:C[6]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](CC[6a]C[6]H)(C[6]O[6]O)2(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](CC[6a]C[6]H)(C[6]O[6]O)2(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	105.9283	0.750	4	105.9283	0.563	4	105.9283	0.563	4	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C-4:C[6]-3:N[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(O)	H(C[6]C[6]N[6]C)	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H){1|C<3>,1|O<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]C)	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(COO)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(COO)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	107.0416	0.267	5	107.0416	0.071	5	107.0416	0.071	5	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-2:Cl-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H)	C[6](C[6]C[5,6]C[6a]H)(N[6]O[6])(Cl)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(N[6]O[6])(Cl){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6a]C[6])	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[5,6]C[6a]H)(O[6]C[6])(O)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|I<1>,1|N<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.8520	0.000	1	105.3860	0.434	2	105.3860	0.434	2	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[5,6]C[6a]H)(O[6]C[6])(O)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	104.9200	0.000	1	105.3860	0.434	2	105.3860	0.434	2	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]C)(C[6]O[6]O)2(H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]C)(C[6]O[6]O)2(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5]C[6]2)	105.7065	0.033	2	105.7065	0.001	2	105.6718	0.002	4	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5]C[5]2H)(C[6]O[6]O)2(H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2H)(C[6]O[6]O)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5]C[6]2)	105.6370	0.014	2	105.6370	0.000	2	105.6718	0.002	4	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(COO)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(O){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	106.8490	0.000	1	106.8490	0.000	1	106.8490	0.000	1	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6])(O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6a]C[6])	105.6400	0.000	1	105.6400	0.000	1	105.6400	0.000	1	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[6,6]C[6a]H)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|I<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(O[6]C[6,6])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.1960	0.000	1	107.1960	0.000	1	107.1960	0.000	1	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]O[6]O)(CCO)(H)	C[6](C[6]C[6]CH)(O[6]C[4x6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[3x6]CH)(C[6]O[6]O)(CCO)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[4x6])(O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.9430	0.000	1	106.9430	0.000	1	107.8373	0.602	3	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(COO)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.3280	0.000	1	108.3280	0.000	1	107.8373	0.602	3	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(COO)(H){4|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.2410	0.000	1	108.2410	0.000	1	107.8373	0.602	3	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(N[6]C[6])(O)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(N[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]3)	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]O[6]O)2(H)	C[6](C[6]C[6]2H)(O[6]C[6])(O)	H(C[6]C[6]3)	C[6](C[6]C[6a]C[6]2)(C[6]O[6]O)2(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6]3)	106.3607	0.637	16	106.2539	0.454	18	106.2539	0.454	18	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]O[6]O)2(H)	C[6](C[6]C[6]2H)(O[6]C[6])(O)	H(C[6]C[6]3)	C[6](C[6]C[6a]C[6]2)(C[6]O[6]O)2(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2H)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]3)	105.4000	0.013	2	106.2539	0.454	18	106.2539	0.454	18	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(O)	H(C[6]C[6]2N)	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(NCH)(H){1|Fe<10>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	106.0590	0.000	1	106.0590	0.000	1	106.6748	0.988	6	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(O)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(NCH)(H){4|C<3>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2N)	105.3690	0.000	1	105.3690	0.000	1	106.6748	0.988	6	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(O)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]O[6]O)(NCH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	108.3010	0.000	1	108.3010	0.000	1	106.6748	0.988	6	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(O)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	106.5600	0.000	1	106.7733	0.090	3	106.6748	0.988	6	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(O)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(O){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.1170	0.000	1	106.7733	0.090	3	106.6748	0.988	6	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(O)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|N<2>,2|C<4>}	C[6](C[6]C[6]HN)(O[6]C[6])(O){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.6430	0.000	1	106.7733	0.090	3	106.6748	0.988	6	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]O[6]O)(N[5]C[5]2)(H){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[5]H)(O[6]C[6])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	107.2385	0.740	2	107.2385	0.548	2	107.2385	0.548	2	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|S<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(O){1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.3120	0.000	1	106.3870	0.670	3	106.4497	0.829	15	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(O){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.9245	0.240	2	106.3870	0.670	3	106.4497	0.829	15	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(O){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	104.6620	0.000	1	105.3200	0.866	2	106.4497	0.829	15	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(O){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.9780	0.000	1	105.3200	0.866	2	106.4497	0.829	15	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	105.6150	0.000	1	106.6945	0.693	10	106.4497	0.829	15	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.9807	0.882	6	106.6945	0.693	10	106.4497	0.829	15	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(O){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.4820	0.527	3	106.6945	0.693	10	106.4497	0.829	15	106.5115	0.896	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:3:	4:	B[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CCH)	H(C[6]C[6a]B[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H){2|F<1>,7|C<3>}	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CCH){2|O<2>,4|C<3>}	H(C[6]C[6a]B[6]C[6])	105.7050	0.000	1	105.7050	0.000	1	105.9655	0.136	2	106.9073	2.550	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:3:	4:	B[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CHH)	H(C[6]C[6a]B[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H){2|F<1>,7|C<3>}	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CHH){1|N<3>,1|O<2>,4|C<3>}	H(C[6]C[6a]B[6]C[6])	106.2260	0.000	1	106.2260	0.000	1	105.9655	0.136	2	106.9073	2.550	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]O[6]C)(CCH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.3373	0.269	3	107.3373	0.072	3	107.3373	0.072	3	106.9073	2.550	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:3:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(NOO)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(CC[6a]H)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(NOO)(H){4|C<3>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2N)	108.1110	0.000	1	108.1110	0.000	1	108.1110	0.000	1	106.9073	2.550	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(CCH)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(CCH){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.1810	0.000	1	106.1810	0.000	1	106.7040	8.110	3	106.9073	2.550	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6]H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6]H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	104.1540	0.000	1	104.1540	0.000	1	106.7040	8.110	3	106.9073	2.550	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6a]H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6a]H){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	109.7770	0.000	1	109.7770	0.000	1	106.7040	8.110	3	106.9073	2.550	9	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:2:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(CNO)(H)	C[6](C[6]C[6]CH)(N[6]N[6])(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CNO)(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]CH)(N[6]N[6])(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	109.2140	0.000	1	109.2140	0.000	1	109.2140	0.000	1	109.2140	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C-4:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]N[6]C)	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	103.9250	0.141	2	103.9250	0.020	2	103.9250	0.020	2	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[3,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]N[3,6]C[3]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6a]C[6])	C[6](C[3,6]N[3,6]C[3]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[3,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[3,6]C[6a]C[6])	106.8550	0.000	1	106.8550	0.000	1	106.8550	0.000	1	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[4]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[4]C[6]2)	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[4]C[6]2)	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[4]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[4]C[6]H)(N[6]C[6]C)(O)	H(C[6]C[4]C[6]2)	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[4]C[6]H)(N[6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[4]C[6]2)	107.7850	0.000	1	107.7850	0.000	1	107.7850	0.000	1	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[4]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[4]N[6]H)(C[6]C[6]H)(H)	H(C[6]C[4]C[6]N[6])	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[4]N[6]H)(C[6]C[6]H)(H){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[4]C[6]N[6])	107.8850	0.000	1	107.8850	0.000	1	107.8850	0.000	1	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[4x6]-4:N[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[4x6]N[5a]H)(C[6]C[6]H)(H)	H(C[6]C[4x6]N[5a]C[6])	C[6](C[4x6]C[3x6]2C[6,6])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[4x6]N[5a]H)(C[6]C[6]H)(H){1|C<3>,1|N<2>,5|C<4>}	H(C[6]C[4x6]N[5a]C[6])	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.7070	0.000	1	107.7070	0.000	1	107.1005	1.073	17	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.0493	0.344	7	107.0493	0.118	7	107.1005	1.073	17	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H){1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	105.5395	0.937	2	105.5395	0.878	2	107.1005	1.073	17	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	107.3060	0.000	1	107.3060	0.000	1	107.1005	1.073	17	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]C)	106.7893	0.389	4	106.7893	0.151	4	107.1005	1.073	17	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]C)	109.9990	0.000	1	109.9990	0.000	1	107.1005	1.073	17	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]2Ge[6])(C[6]C[6]H)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]2Ge[6])(C[6]C[6]H)(COO)(H){2|O<2>,6|C<3>}	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H){1|Ge<4>,2|C<3>}	H(C[6]C[5,6]C[6]C)	108.1150	0.000	1	108.1150	0.000	1	107.1005	1.073	17	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.0280	0.000	1	108.0280	0.000	1	108.2445	0.094	2	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(CCO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(CCO)(H){1|H<1>,4|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]C)	108.4610	0.000	1	108.4610	0.000	1	108.2445	0.094	2	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(COO)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]O)(COO)(H){2|C<3>,4|C<4>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	109.2740	0.000	1	109.2740	0.000	1	109.2740	0.000	1	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O[6])(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.0270	0.000	1	106.0135	0.000	2	106.0135	0.000	2	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]O[6])(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.0000	0.000	1	106.0135	0.000	2	106.0135	0.000	2	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]N)	108.1310	0.000	1	108.1310	0.000	1	107.9260	0.084	2	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]N)	107.7210	0.000	1	107.7210	0.000	1	107.9260	0.084	2	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]N[5])	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<1>,3|H<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H){6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.4463	0.459	3	105.4463	0.210	3	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]Si)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]Si)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.4360	0.000	1	105.4360	0.000	1	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.3870	0.000	1	106.3870	0.000	1	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.6460	0.426	2	107.6460	0.181	2	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.1940	0.000	1	106.8640	0.339	3	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.1990	0.068	2	106.8640	0.339	3	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H){1|B<3>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.5075	0.252	2	105.5697	0.043	3	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.6940	0.000	1	105.5697	0.043	3	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6a]C[6])	106.5850	0.000	1	106.5850	0.000	1	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.5066	0.434	13	106.5066	0.188	13	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6a]C[6])	107.0580	0.000	1	107.1550	0.019	2	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,5|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6a]C[6])	107.2520	0.000	1	107.1550	0.019	2	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]N[6])(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]N[6])(H){1|N<2>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.8430	0.000	1	107.8430	0.000	1	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]O[6])(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<3>,3|H<1>,8|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]O[6])(H){1|Li<3>,1|B<4>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.9350	0.197	2	105.9350	0.039	2	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5a,6]H)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5a,6]H)(H){1|N<3>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.6005	0.245	2	106.6005	0.060	2	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8780	0.000	1	106.8780	0.000	1	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H){1|C<4>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8005	0.179	2	106.8005	0.032	2	106.4765	0.486	37	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(O)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6a]C[6])	106.0410	0.000	1	106.0410	0.000	1	106.0410	0.000	1	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H){1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[5]C[6]2)	107.6620	0.000	1	107.6620	0.000	1	106.2307	1.537	3	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)2(H){2|H<1>,3|C<3>,5|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5]C[6]2)	105.5150	0.037	2	105.5150	0.001	2	106.2307	1.537	3	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5]C[5]2H)(C[6]N[6]O)2(H)	C[6](C[6]C[5]C[6]H)(N[6]C[6]C)(O)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2H)(C[6]N[6]O)2(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[5]C[6]2)	105.3140	0.007	2	105.3140	0.000	2	105.3140	0.000	2	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	105.8970	0.000	1	105.8970	0.000	1	105.8970	0.000	1	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(CC[6a]O)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(O){1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6,6]C[6]C)	107.5420	0.000	1	107.5420	0.000	1	106.8977	0.328	3	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.5755	0.180	2	106.5755	0.033	2	106.8977	0.328	3	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]B[5])(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]B[5])(H){1|C<4>,1|H<1>,1|N<3>,1|P<4>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[3x6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6a]C[6])	106.0480	0.000	1	106.0480	0.000	1	107.5600	1.991	20	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[5a,6]C[6a])(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[5a,6]C[6a])(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.4830	0.000	1	107.4830	0.000	1	107.5600	1.991	20	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]B)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]B)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.5720	0.874	2	106.5720	0.764	2	107.5600	1.991	20	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.1145	0.176	2	108.0217	2.960	10	107.5600	1.991	20	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.5005	0.757	2	108.0217	2.960	10	107.5600	1.991	20	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6a]C[6])	108.8312	1.369	6	108.0217	2.960	10	107.5600	1.991	20	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6a]C[6])	106.8410	0.000	1	106.8410	0.000	1	107.5600	1.991	20	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6a]C[6])	107.8220	0.165	2	107.8220	0.027	2	107.5600	1.991	20	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.3560	0.000	1	108.3560	0.000	1	107.5600	1.991	20	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.9060	0.000	1	105.9060	0.000	1	107.5600	1.991	20	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H){1|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.5600	0.000	1	107.5600	0.000	1	107.5600	1.991	20	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(O){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.4625	0.153	2	106.4625	0.024	2	106.6987	0.179	3	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6]C[6,6]C[6a]H)(N[6]N[6]C)(O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(N[6]N[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.1710	0.000	1	107.1710	0.000	1	106.6987	0.179	3	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]H)(H)	H(C[6]C[5a]C[6]2)	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a]C[6]2)	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(Br)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(COO)(H){1|Br<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(Br){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	108.6560	0.000	1	108.6560	0.000	1	108.6560	0.000	1	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	105.6040	0.536	2	106.8097	4.505	3	107.9880	2.355	8	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	109.2210	0.000	1	106.8097	4.505	3	107.9880	2.355	8	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.6490	0.710	2	108.7567	0.287	3	107.9880	2.355	8	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H){1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.9720	0.000	1	108.7567	0.287	3	107.9880	2.355	8	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]OO)(C[6]C[6]H)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2C)	108.9250	0.000	1	108.9250	0.000	1	107.9880	2.355	8	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.2800	0.000	1	108.2800	0.000	1	107.9880	2.355	8	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CNO)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2C)	107.3810	0.000	1	107.3810	0.000	1	107.7493	2.002	19	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2C)	107.5090	0.902	2	107.5090	0.814	2	107.7493	2.002	19	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]O)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.5960	0.000	1	108.5960	0.000	1	107.7493	2.002	19	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.8529	1.569	14	107.8529	2.462	14	107.7493	2.002	19	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2C)	106.3020	0.000	1	106.3020	0.000	1	107.7493	2.002	19	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]O)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]O)(COO)(H){2|C<3>,4|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.8230	0.000	1	106.8230	0.000	1	107.3447	3.509	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2070	0.000	1	107.2070	0.000	1	107.3447	3.509	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	104.6960	0.000	1	104.6960	0.000	1	107.3447	3.509	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4015	0.169	2	107.4015	0.029	2	107.3447	3.509	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	110.5390	0.000	1	110.5390	0.000	1	107.3447	3.509	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H)	C[6](C[6]C[6]2H)(C[6]N[6]H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]H)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]H)(H){2|H<1>,4|C<3>}	H(C[6]C[6]3)	108.1710	0.000	1	108.1710	0.000	1	108.7523	0.624	3	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(C[6]N[6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|N<3>,3|C<4>}	H(C[6]C[6]3)	108.4340	0.000	1	108.4340	0.000	1	108.7523	0.624	3	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<2>}	H(C[6]C[6]3)	109.6520	0.000	1	109.6520	0.000	1	108.7523	0.624	3	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6,6a]2H)(C[6]N[6]O)2(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]2H)(C[6]N[6]O)2(H){2|C<4>,5|C<3>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]3)	107.3320	0.027	2	107.3320	0.001	2	107.3868	0.618	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]3)	106.4580	0.000	1	106.4580	0.000	1	107.3868	0.618	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(C[6]N[6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6]3)	108.3400	0.000	1	108.3400	0.000	1	107.3868	0.618	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(C[6]N[6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]3)	107.4295	1.143	2	107.4295	1.307	2	107.3868	0.618	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4060	0.000	1	108.4060	0.000	1	108.5173	1.126	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.2790	0.301	2	109.2790	0.091	2	108.5173	1.126	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.5190	1.426	2	108.0467	1.851	3	108.5173	1.126	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	109.1020	0.000	1	108.0467	1.851	3	108.5173	1.126	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H){1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	111.3780	0.000	1	111.3780	0.000	1	108.0302	1.337	21	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	108.4190	0.000	1	108.4190	0.000	1	108.0302	1.337	21	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2N)	107.8300	0.000	1	107.8300	0.000	1	108.0302	1.337	21	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCS)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	107.2220	0.000	1	107.2220	0.000	1	108.0302	1.337	21	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	105.6270	0.000	1	106.9734	0.650	5	108.0302	1.337	21	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.3100	0.334	4	106.9734	0.650	5	108.0302	1.337	21	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2160	0.000	1	108.2160	0.000	1	108.0302	1.337	21	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.0690	0.000	1	108.0690	0.000	1	108.0302	1.337	21	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NHS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NHS)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.2930	0.000	1	108.2930	0.000	1	108.0302	1.337	21	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	108.3233	0.653	3	108.3233	0.427	3	108.0302	1.337	21	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	107.7950	0.000	1	107.7950	0.000	1	108.0302	1.337	21	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.8090	1.717	2	108.8090	2.948	2	108.0302	1.337	21	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.5715	0.175	2	107.5715	0.031	2	108.0302	1.337	21	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NHH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NHH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	108.8140	0.000	1	108.8140	0.000	1	108.0302	1.337	21	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCC)(H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(O)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.2180	0.000	1	106.2180	0.000	1	103.7765	20.705	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(N[6]C[6]H)(O)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	105.0190	0.000	1	105.0190	0.000	1	103.7765	20.705	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(N[6]C[6]N)(O)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]N)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	106.0900	0.000	1	106.0900	0.000	1	103.7765	20.705	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(N[6]C[6]O)(O)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]O)(O){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	98.2321	1.807	2	98.2321	3.265	2	103.7765	20.705	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C[6](C[6]C[6]HN)(N[6]N[6]C)(O)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HN)(N[6]N[6]C)(O){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	108.8680	0.000	1	108.8680	0.000	1	103.7765	20.705	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	107.1970	0.000	1	107.1970	0.000	1	107.5350	0.479	4	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]C)(H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]C)(H){1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	106.9830	0.000	1	106.9830	0.000	1	107.5350	0.479	4	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H)	H(C[6]C[6]2N[5])	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N[5])	107.9800	0.789	2	107.9800	0.623	2	107.5350	0.479	4	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	107.0630	0.000	1	107.0630	0.000	1	107.2291	0.209	14	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	107.6475	0.301	2	107.2418	0.224	13	107.2291	0.209	14	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	106.0720	0.000	1	107.2418	0.224	13	107.2291	0.209	14	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<1>,3|C<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2N[5])	107.0823	0.365	4	107.2418	0.224	13	107.2291	0.209	14	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	106.9880	0.000	1	107.2418	0.224	13	107.2291	0.209	14	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	107.4920	0.078	5	107.2418	0.224	13	107.2291	0.209	14	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6a]H)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6,6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2N[6])	105.8970	0.000	1	105.8970	0.000	1	108.0575	4.886	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6a]C)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6,6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2N[6])	107.4110	0.000	1	107.4110	0.000	1	108.0575	4.886	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6a]H)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2N[6])	106.1840	0.000	1	106.1840	0.000	1	108.0575	4.886	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|N<3>,2|O<1>,3|C<4>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2N[6])	109.9080	2.833	2	109.9080	8.024	2	108.0575	4.886	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]BrH)(C[6]C[6]H)(N[6]C[6]2)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	109.0370	0.000	1	109.0370	0.000	1	108.0575	4.886	6	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]O)(N[6]N[6]C)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]H)(O)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]N[6]O)(N[6]N[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(C[6]C[6]2N[6])	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6]-3:S-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(SC[6a]O)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	H(C[6]C[6]2S)	C[6](C[6]N[6]CH)(C[6]C[6]H)(SC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2S)	109.6255	0.090	2	109.6255	0.008	2	109.6255	0.008	2	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.4170	0.000	1	106.4170	0.000	1	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	105.3960	0.000	1	105.3960	0.000	1	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	109.0690	0.000	1	109.0690	0.000	1	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5600	0.000	1	107.2710	0.167	2	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.9820	0.000	1	107.2710	0.167	2	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.6740	0.000	1	106.6740	0.000	1	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.4120	0.115	2	107.4120	0.013	2	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H){6|C<3>}	H(C[6]C[6a]C[6]2)	107.1820	0.752	2	107.1820	0.566	2	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){6|C<3>}	H(C[6]C[6a]C[6]2)	107.5170	0.000	1	107.5170	0.000	1	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	109.0400	0.953	2	109.0400	0.909	2	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	105.5840	0.000	1	105.5840	0.000	1	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.8720	0.062	2	106.8720	0.004	2	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.4620	0.588	2	106.4620	0.346	2	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.6890	0.000	1	106.6890	0.000	1	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.4965	0.005	2	107.4965	0.000	2	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.1460	0.000	1	108.1374	0.217	5	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,1|S<4>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.9283	0.421	3	108.1374	0.217	5	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	108.7560	0.000	1	108.1374	0.217	5	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.4388	1.214	6	108.1213	1.005	10	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.5590	0.189	3	108.1213	1.005	10	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9030	0.000	1	108.1213	1.005	10	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]P)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|P<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]P)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.7910	0.000	1	107.7910	0.000	1	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|N<3>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.7720	0.000	1	107.8395	1.739	2	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.9070	0.000	1	107.8395	1.739	2	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.4030	0.000	1	108.4030	0.000	1	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(H){1|H<1>,1|P<4>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.8140	0.000	1	106.8140	0.000	1	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6960	0.000	1	107.6960	0.000	1	107.5976	1.021	42	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[3,6]S)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[3,6]S)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.5850	0.000	1	107.5850	0.000	1	106.8243	1.347	10	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.9510	0.929	2	106.9510	0.863	2	106.8243	1.347	10	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.8520	1.266	2	106.8520	1.602	2	106.8243	1.347	10	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	105.9970	0.000	1	105.9970	0.000	1	106.8243	1.347	10	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.3243	1.512	3	107.3243	2.287	3	106.8243	1.347	10	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(O){1|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	105.0820	0.000	1	105.0820	0.000	1	106.8243	1.347	10	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](PC[6a]2Rh)(C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](PC[6a]2Rh)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2P)	119.4330	0.004	2	119.4330	0.000	2	115.1896	184.716	16	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](PC[6a]C[5]Cu)(C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](PC[6a]C[5]Cu)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2P)	119.7440	0.092	2	119.7440	0.008	2	115.1896	184.716	16	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](PC[6a]C[5]Pt)(C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](PC[6a]C[5]Pt)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2P)	119.9260	0.078	2	119.9260	0.006	2	115.1896	184.716	16	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](PC[6a]C[6]Au)(C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Au)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2P)	120.0463	0.069	4	120.0463	0.005	4	115.1896	184.716	16	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](PC[6a]C[6]C)(C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](PC[6a]C[6]C)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2P)	119.9810	0.004	2	119.9810	0.000	2	115.1896	184.716	16	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](PC[6a]C[6]Re)(C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](PC[6a]C[6]Re)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2P)	81.7963	14.850	2	81.7963	220.515	2	115.1896	184.716	16	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	P-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](PC[6a]PdN)(C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	H(C[6]C[6]2P)	C[6](PC[6a]PdN)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2P)	120.5440	0.038	2	120.5440	0.001	2	115.1896	184.716	16	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:1:	4:	Si-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](SiC[6a]2Pd)(C[6]C[6]H)2(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H)	H(C[6]C[6]2Si)	C[6](SiC[6a]2Pd)(C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2Si)	90.0675	0.007	2	90.0675	0.000	2	90.0675	0.000	2	107.6211	17.807	277	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(OC)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(OC){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.9130	0.245	2	107.9130	0.060	2	107.9130	0.060	2	108.2325	1.480	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]N)(CN)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]N)(CN){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.2020	0.000	1	108.2020	0.000	1	106.9230	0.798	6	108.2325	1.480	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.3210	0.279	2	107.3210	0.078	2	106.9230	0.798	6	108.2325	1.480	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]N)(CN)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]N)(CN){1|N<3>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.7340	0.000	1	106.7340	0.000	1	106.9230	0.798	6	108.2325	1.480	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN){1|C<4>,1|S<2>,2|C<2>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.9800	0.380	2	105.9800	0.145	2	106.9230	0.798	6	108.2325	1.480	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[5]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(CN)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(CN){2|H<1>,4|C<3>}	H(C[6]C[5]C[6]2)	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	108.2325	1.480	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[5]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H)	C[6](C[6]C[5]N[6]H)(C[6]C[6]H)(OC)	H(C[6]C[5]C[6]N[6])	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5]N[6]H)(C[6]C[6]H)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5]C[6]N[6])	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	108.2325	1.480	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NN)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(NN){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	107.8840	0.000	1	107.8840	0.000	1	107.8840	0.000	1	108.2325	1.480	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<2>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.8850	0.000	1	106.8850	0.000	1	108.9702	0.801	11	108.2325	1.480	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H){1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	109.1787	0.598	10	109.1787	0.358	10	108.9702	0.801	11	108.2325	1.480	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]S)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(SC)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]S)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(SC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	108.8390	0.000	1	108.8390	0.000	1	108.8390	0.000	1	108.2325	1.480	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:2:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(OC)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(OC){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.0810	0.000	1	107.0810	0.000	1	107.0810	0.000	1	108.2325	1.480	24	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[4,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO)	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[4,6]C[6a]C[6])	106.9385	0.353	2	106.9385	0.125	2	106.9385	0.125	2	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CC[6a]C)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	103.6400	0.000	1	103.6400	0.000	1	107.2226	2.009	9	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[3x6]C[5])(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6]C[5,6]CH)(C[6]N[3x6]C)(COO)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[3x6]C[5])(C[6]C[6]C)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]N[3x6]C)(COO){2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.6320	0.000	1	107.6320	0.000	1	107.2226	2.009	9	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(CHH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(CHH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]C)	106.8550	0.000	1	106.8550	0.000	1	107.2226	2.009	9	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6]C[5,6]CH)(C[6]N[6,6]C)(COO)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(CC[6a]O)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5,6]CH)(C[6]N[6,6]C)(COO){1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]C)	108.4140	0.000	1	108.4140	0.000	1	107.2226	2.009	9	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(COO)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.6924	0.322	5	107.6924	0.103	5	107.2226	2.009	9	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(COO)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(COO){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.2207	0.654	3	106.2207	0.428	3	106.4285	0.458	4	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]N[6,6]N[6])(CC[6]O)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>,3|N<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6,6]N[6,6]N[6])(CC[6]O){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6a]C[6])	107.0520	0.000	1	107.0520	0.000	1	106.4285	0.458	4	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H)	C[6](C[6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]N[5])	109.4200	0.443	2	109.4200	0.196	2	109.4200	0.196	2	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CCH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CCH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.7870	0.000	1	106.7870	0.000	1	107.0740	0.223	12	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(COO)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.7275	0.419	2	106.7275	0.176	2	107.0740	0.223	12	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CCH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CCH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.3030	0.000	1	106.3030	0.000	1	107.0740	0.223	12	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CHO)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CHO){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.5588	0.328	4	107.5588	0.108	4	107.0740	0.223	12	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(COO)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.2570	0.000	1	107.2570	0.000	1	107.0740	0.223	12	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(COO)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(COO){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.9580	0.140	2	106.9580	0.020	2	107.0740	0.223	12	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CCO)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CCO){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.9350	0.000	1	106.9350	0.000	1	107.0740	0.223	12	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H)	C[6](C[6]C[6,6]C[5a]H)(C[6]O[6]H)(NOO)	H(C[6]C[6,6]C[5a]C[6])	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[5a]H)(C[6]O[6]H)(NOO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]C[5a]C[6])	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.7395	0.500	2	106.5850	0.262	4	106.6334	0.208	5	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.4305	0.664	2	106.5850	0.262	4	106.6334	0.208	5	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.8270	0.000	1	106.8270	0.000	1	106.6334	0.208	5	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]2)(COO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]2)(COO){1|C<4>,2|H<1>,2|S<2>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]C)(CCO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]C)(CCO){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.2830	0.000	1	107.2830	0.000	1	107.1903	0.091	3	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.8530	0.000	1	106.8530	0.000	1	107.1903	0.091	3	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6a]C[6])	107.4350	0.000	1	107.4350	0.000	1	107.1903	0.091	3	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCP)	H(C[6]C[6]2C)	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H){2|C<3>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCP){1|B<4>,2|H<1>}	H(C[6]C[6]2C)	107.4160	0.000	1	107.4160	0.000	1	107.3089	1.569	10	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|H<1>}	H(C[6]C[6]2C)	108.2170	0.000	1	108.2170	0.000	1	107.3089	1.569	10	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|H<1>}	H(C[6]C[6]2C)	107.8940	0.000	1	107.8940	0.000	1	107.3089	1.569	10	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]2)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCC)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(CCH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.2365	0.334	2	106.2365	0.112	2	107.3089	1.569	10	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	105.1820	0.000	1	105.1820	0.000	1	107.3089	1.569	10	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CBrH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CBrH){1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0405	0.284	2	107.0405	0.080	2	107.3089	1.569	10	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.3490	0.000	1	108.3490	0.000	1	107.3089	1.569	10	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	109.4770	0.000	1	109.4770	0.000	1	107.3089	1.569	10	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO)	H(C[6]C[6]3)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]3)	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]3)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(C[6]N[6]H){1|Ir<8>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]3)	109.2610	0.000	1	109.2610	0.000	1	107.8430	4.021	2	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]3)	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]N[6]O)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	H(C[6]C[6]3)	106.4250	0.000	1	106.4250	0.000	1	107.8430	4.021	2	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	107.3830	0.000	1	107.1536	0.073	5	107.1536	0.073	5	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	H(C[6]C[6a]C[6]2)	107.0962	0.274	4	107.1536	0.073	5	107.1536	0.073	5	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCC)(H)	C[6](C[6]C[6]HN)(C[6]S[6]C)(COO)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCC)(H){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]S[6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2N)	104.5000	0.000	1	104.5000	0.000	1	106.7810	10.406	2	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]O[6]H)(COO)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]H)(COO){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	109.0620	0.000	1	109.0620	0.000	1	106.7810	10.406	2	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(COO)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(COO){1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	107.0920	0.535	2	107.0920	0.286	2	107.0920	0.286	2	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]S)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]S)(H){1|C<2>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)2{1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.1330	0.000	1	108.1330	0.000	1	107.9122	2.332	13	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.4420	0.000	1	107.4420	0.000	1	107.9122	2.332	13	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(COO){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.3230	0.000	1	107.3230	0.000	1	107.9122	2.332	13	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CHO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.3340	0.000	1	107.3340	0.000	1	107.9122	2.332	13	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.8167	0.174	3	107.8167	0.030	3	107.9122	2.332	13	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(COO){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	112.8540	0.000	1	112.8540	0.000	1	107.9122	2.332	13	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]C)(COO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]C)(COO){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.8640	0.000	1	106.8640	0.000	1	107.9122	2.332	13	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.3150	0.000	1	107.3645	0.074	4	107.9122	2.332	13	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.2175	0.244	2	107.3645	0.074	4	107.9122	2.332	13	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	107.7080	0.000	1	107.3645	0.074	4	107.9122	2.332	13	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(NOO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(NOO){1|O<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.8450	0.000	1	106.8450	0.000	1	106.8450	0.000	1	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:3:	4:	N[5,6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]Cu)(C[6]C[6]N[6])(N[6]C[6]H)(H)	C[6](C[6]N[5,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	H(C[6]N[5,6]C[6]N[6])	C[6](N[5,6]C[5,6]C[5]Cu)(C[6]C[6]N[6])(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6](C[6]N[5,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]N[6])	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	107.3573	1.442	77	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CNO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCCH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CNO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCCH){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	105.0920	0.000	1	105.0920	0.000	1	106.1925	2.422	2	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]N[6,6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]C)(COO)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]N[6,6]H)(CC[6a]HH){2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.2930	0.000	1	107.2930	0.000	1	106.1925	2.422	2	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]N)	107.7650	0.000	1	107.7650	0.000	1	107.7650	0.000	1	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CH3)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.2490	0.000	1	106.2490	0.000	1	105.7535	0.491	2	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(CCH)(H){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.2580	0.000	1	105.2580	0.000	1	105.7535	0.491	2	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(SC[6a]OO)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(SC[6a]OO){3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.4960	0.000	1	106.4960	0.000	1	106.4960	0.000	1	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.7560	0.000	2	105.7560	0.000	2	107.9077	1.218	13	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	H(C[6]C[6]2C)	108.2028	0.250	4	108.2028	0.062	4	107.9077	1.218	13	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]O)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.3680	0.000	1	107.3680	0.000	1	107.9077	1.218	13	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.2540	0.000	1	108.2540	0.000	1	107.9077	1.218	13	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	108.1830	0.000	1	108.1830	0.000	1	107.9077	1.218	13	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8280	0.000	1	107.8280	0.000	1	107.9077	1.218	13	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	109.7050	0.000	1	109.3040	0.322	2	107.9077	1.218	13	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CNO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	108.9030	0.000	1	109.3040	0.322	2	107.9077	1.218	13	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2C)	108.2360	0.000	1	108.2360	0.000	1	107.9077	1.218	13	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]C)2(H)	C[6](C[6]C[6]2H)(C[6]N[6]H)(CH3)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]H)(CH3){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]3)	108.5790	0.018	2	108.5790	0.000	2	109.0160	1.244	4	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(CH3)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(C[6]N[6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[6]3)	109.4530	1.723	2	109.4530	2.967	2	109.0160	1.244	4	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	H(C[6]C[6]2N)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	106.3200	0.000	1	106.3200	0.000	1	107.4598	0.409	6	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CCCH)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(CCCH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.3630	0.243	2	107.3630	0.059	2	107.4598	0.409	6	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCS)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCS)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	107.9570	0.000	1	107.9570	0.000	1	107.4598	0.409	6	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	107.8780	0.263	2	107.8780	0.069	2	107.4598	0.409	6	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]2)	108.7520	0.000	1	108.7520	0.000	1	107.9997	0.600	3	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHHO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	108.0420	0.000	1	108.0420	0.000	1	107.9997	0.600	3	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,3|C<2>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2050	0.000	1	107.2050	0.000	1	107.9997	0.600	3	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(SC[6a]OO){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.6850	0.000	1	106.6850	0.000	1	106.6850	0.000	1	107.6261	1.448	34	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.5250	0.000	1	107.5250	0.000	1	108.0590	0.316	3	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(COO)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	108.6450	0.000	1	108.6450	0.000	1	108.0590	0.316	3	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]C)	108.0070	0.000	1	108.0070	0.000	1	108.0590	0.316	3	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[5]H)(O)	H(C[6]C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(C[5]C[5]2)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[5]H)(O){2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[5]C[6])	105.0060	0.000	1	105.0060	0.000	1	105.0060	0.000	1	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]N[5])	104.7150	0.000	1	104.7150	0.000	1	105.5105	0.529	6	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]N[5])	104.5750	0.000	1	105.0630	0.476	2	105.5105	0.529	6	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]N[5])	105.5510	0.000	1	105.0630	0.476	2	105.5105	0.529	6	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]N[5])	106.3500	0.000	1	106.0740	0.092	3	105.5105	0.529	6	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]N[5])	105.9360	0.266	2	106.0740	0.092	3	105.5105	0.529	6	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.2180	0.000	1	107.2180	0.000	1	108.1828	0.472	5	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(CC[6a]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(CC[6a]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.8390	0.000	1	107.8390	0.000	1	108.1828	0.472	5	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(COO)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	108.8270	0.086	2	108.8270	0.007	2	108.1828	0.472	5	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(COO)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.2030	0.000	1	108.2030	0.000	1	108.1828	0.472	5	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCC)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCC)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]N)	105.6910	0.000	1	105.6910	0.000	1	105.6910	0.000	1	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[6](C[6]C[6,6]N[5]H)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]N[5])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)(H){6|C<4>,8|H<1>}	C[6](C[6]C[6,6]N[5]H)(C[6]C[6]HH)(O){3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]N[5])	106.5700	0.000	1	106.5700	0.000	1	106.5700	0.000	1	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.4065	0.012	2	105.4065	0.000	2	105.8653	0.632	3	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.7830	0.000	1	106.7830	0.000	1	105.8653	0.632	3	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	108.1580	0.000	1	108.1580	0.000	1	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	105.0540	0.000	1	105.0540	0.000	1	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.3590	0.000	1	107.3590	0.000	1	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5520	0.000	1	106.5520	0.000	1	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O){1|C<2>,1|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.2490	0.000	1	107.2490	0.000	1	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)2(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.4300	0.000	1	108.4300	0.000	1	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	104.7350	0.000	1	104.7350	0.000	1	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	110.2990	0.474	4	109.7886	1.471	5	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)2(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7470	0.000	1	109.7886	1.471	5	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	103.3260	0.000	1	103.3260	0.000	1	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	108.1263	0.416	3	108.1263	0.173	3	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	107.7390	0.000	1	107.7390	0.000	1	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.8050	0.000	1	107.8050	0.000	1	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.4210	0.160	3	108.4210	0.026	3	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(CCH)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]C[6]O)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.6740	0.000	1	108.6740	0.000	1	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(COO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.8030	0.000	1	108.8030	0.000	1	107.9334	3.110	23	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(NPtH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NPtH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	107.9290	0.000	1	107.9290	0.000	1	103.8380	33.473	2	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(NSnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NSnC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	99.7469	0.000	1	99.7469	0.000	1	103.8380	33.473	2	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2N[6])	107.9430	0.000	2	107.9430	0.000	2	107.9430	0.000	2	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6]-3:S-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(SC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]O)(SC[6a]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HS)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	107.5950	0.000	1	107.5950	0.000	1	107.5950	0.000	1	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)2(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)2(O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.0510	0.000	1	107.0510	0.000	1	106.8717	0.218	16	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.6165	0.052	2	106.6165	0.003	2	106.8717	0.218	16	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)2(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)2(O){1|N<3>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.8820	0.568	10	106.8714	0.272	12	106.8717	0.218	16	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)2(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]H)2(O){1|N<3>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.8185	0.298	2	106.8714	0.272	12	106.8717	0.218	16	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){4|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2060	0.000	1	107.2060	0.000	1	106.8717	0.218	16	107.1357	2.911	65	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:2:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6])	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6]){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.1050	0.000	1	108.1050	0.000	1	105.7760	2.439	4	106.4802	2.765	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:2:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NSS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NSS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	104.9997	0.207	3	104.9997	0.043	3	105.7760	2.439	4	106.4802	2.765	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:2:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NO)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NO){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	108.4150	0.000	1	108.4150	0.000	1	107.8885	0.554	2	106.4802	2.765	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:2:	4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)	H(C[6]C[6]2N)	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	107.3620	0.000	1	107.3620	0.000	1	107.8885	0.554	2	106.4802	2.765	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HH)(CCH)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HH)(CCH){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	107.6669	1.192	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.5643	0.295	6	106.5643	0.087	6	106.7523	0.194	8	107.6669	1.192	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.1200	0.000	1	107.3160	0.077	2	106.7523	0.194	8	107.6669	1.192	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.5120	0.000	1	107.3160	0.077	2	106.7523	0.194	8	107.6669	1.192	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	C[6](C[6]C[6,6]N[6,6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	H(C[6]C[6,6]N[6,6]C[6])	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){2|N<3>,5|C<4>,9|H<1>}	C[6](C[6]C[6,6]N[6,6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){2|H<1>,7|C<4>}	H(C[6]C[6,6]N[6,6]C[6])	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	107.6669	1.192	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CHH)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CHH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5]C[6]2)	107.5455	0.174	4	107.5455	0.030	4	107.5208	0.026	5	107.6669	1.192	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HS)(CHH)	H(C[6]C[5]C[6]2)	C[6](C[6]O[6]HH)(C[5]C[5]2)(C[6]C[6]C)(H){1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HS)(CHH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5]C[6]2)	107.4220	0.000	1	107.4220	0.000	1	107.5208	0.026	5	107.6669	1.192	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	109.1790	0.000	1	109.1790	0.000	1	109.2625	1.111	4	107.6669	1.192	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCO)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCO)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCH){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	110.3210	0.000	1	110.3210	0.000	1	109.2625	1.111	4	107.6669	1.192	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8450	0.000	1	107.8450	0.000	1	109.2625	1.111	4	107.6669	1.192	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)	H(C[6]C[6]2C)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC){1|O<2>,4|H<1>}	H(C[6]C[6]2C)	109.7050	0.000	1	109.7050	0.000	1	109.2625	1.111	4	107.6669	1.192	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]Pt)	H(C[6]C[6]3)	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(C[6]C[6]2)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]Pt){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]3)	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	107.6669	1.192	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)(CN[5]H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)(CN[5]H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	107.6669	1.192	21	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	104.7460	0.000	1	104.7460	0.000	1	104.7460	0.000	1	104.7460	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	C[6](N[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H){2|C<3>}	C[6](N[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.5685	0.114	2	108.5685	0.013	2	108.5685	0.013	2	106.7806	1.791	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]O[6]O)(CCHH)(H)	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]CH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	105.7460	0.000	1	105.7460	0.000	1	106.5442	1.628	19	106.7806	1.791	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CCHH)(H){1|S<2>,3|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2C)	105.6115	0.008	2	105.6115	0.000	2	106.5442	1.628	19	106.7806	1.791	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]CH)(O){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	105.5860	0.000	1	105.5860	0.000	1	106.5442	1.628	19	106.7806	1.791	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCCH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCCH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.1495	0.532	2	108.1495	0.284	2	106.5442	1.628	19	106.7806	1.791	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	105.3380	0.157	3	105.3380	0.025	3	106.5442	1.628	19	106.7806	1.791	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	104.9100	0.499	2	104.9100	0.249	2	106.5442	1.628	19	106.7806	1.791	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CC[6a]CH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CC[6a]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	108.2980	0.000	1	108.2980	0.000	1	106.5442	1.628	19	106.7806	1.791	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.1120	0.824	3	107.1120	0.678	3	106.5442	1.628	19	106.7806	1.791	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.0060	0.000	1	107.0060	0.000	1	106.5442	1.628	19	106.7806	1.791	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[5a]CH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[5a]CH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.9250	0.000	1	106.9250	0.000	1	106.5442	1.628	19	106.7806	1.791	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	108.4410	0.000	1	108.4410	0.000	1	106.5442	1.628	19	106.7806	1.791	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	2:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	107.6460	0.000	1	107.6460	0.000	1	106.5442	1.628	19	106.7806	1.791	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	2:4:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(PO3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HP)(O)	H(C[6]C[6]2P)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(PO3)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]HP)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2P)	107.6970	0.000	1	107.6970	0.000	1	107.6970	0.000	1	106.7806	1.791	22	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCH)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCH)(H){5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH){4|H<1>,6|C<3>}	H(C[6]C[6]2C)	106.3430	0.000	1	106.3430	0.000	1	106.4725	0.034	2	106.2683	0.142	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH){4|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.6020	0.000	1	106.6020	0.000	1	106.4725	0.034	2	106.2683	0.142	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]2)(C[6]C[6]CH)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2H)	H(C[6]C[6]3)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2H){1|B<4>,3|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]3)	105.8600	0.000	1	105.8600	0.000	1	105.8600	0.000	1	106.2683	0.142	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]CH)(H)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]H)(CCCO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]CH)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]C)	105.3343	1.247	3	105.3343	1.555	3	105.3343	1.555	3	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]C)	106.1430	0.277	2	106.1430	0.077	2	106.1430	0.077	2	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.2945	0.203	4	107.2945	0.041	4	107.5817	0.490	6	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]H)(CH3)(H){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H){1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]C)	107.3380	0.000	1	107.3380	0.000	1	107.5817	0.490	6	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CHHN)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CHHN)(H){1|N<3>,1|O<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){6|C<3>}	H(C[6]C[5,6]C[6]C)	108.9740	0.000	1	108.9740	0.000	1	107.5817	0.490	6	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6,6]O)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6,6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]N[6]O)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]O)(C[6]N[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[5a,6]H)(C[6]N[6]HH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[5a,6]H)(C[6]N[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>,3|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]C[6]H)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	H(C[6]C[5,6]C[6]2)	108.4170	0.000	1	108.4170	0.000	1	108.4170	0.000	1	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CCHH)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]C)	108.0950	0.000	1	108.0950	0.000	1	108.0950	0.000	1	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CCHH)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	105.9930	0.000	1	105.9930	0.000	1	105.7930	0.080	2	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(CH3)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]CH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.5930	0.000	1	105.5930	0.000	1	105.7930	0.080	2	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[5a]O[6])(C[6]C[6,6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5a]O[6])(C[6]C[6,6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]C)	108.0430	0.000	1	108.0430	0.000	1	107.0735	1.880	2	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5a]O[6])(C[6]C[6,6]CH)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5a]O[6])(C[6]C[6,6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]C)	106.1040	0.000	1	106.1040	0.000	1	107.0735	1.880	2	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]O)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]CH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]C)	104.1660	0.000	1	104.1660	0.000	1	104.1660	0.000	1	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6]H)(O)	H(C[6]C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]2)	104.8520	0.000	1	104.8520	0.000	1	104.8520	0.000	1	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:C[6]-3:P-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(PO3)(H)	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]HP)(O)	H(C[6]C[6,6]C[6]P)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]HP)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]P)	106.8010	0.000	1	106.8010	0.000	1	106.8010	0.000	1	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	106.0450	0.000	1	106.0450	0.000	1	104.1265	4.980	4	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H)	C[6](C[5,6]C[5,6,6a]C[5,5])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H){3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5,5])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2C)	105.7190	0.000	1	105.7190	0.000	1	104.1265	4.980	4	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H){3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]2C)	102.3710	1.599	2	102.3710	2.558	2	104.1265	4.980	4	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a,5a])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H){3|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a,5a])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2C)	108.0780	0.000	1	108.0780	0.000	1	108.0780	0.000	1	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CH3)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CH3)(H){2|C<3>,2|S<2>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.3680	0.000	1	106.3680	0.000	1	106.3680	0.000	1	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)(H){1|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.3450	0.000	1	106.3450	0.000	1	106.5327	1.940	3	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(CH3)(H)	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(CH3)(H){1|B<3>,2|C<3>}	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	105.2430	0.000	1	105.2430	0.000	1	106.5327	1.940	3	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CCHH)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.0100	0.000	1	108.0100	0.000	1	106.5327	1.940	3	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:Br-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7855	0.182	2	107.7855	0.033	2	107.7855	0.033	2	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3180	0.000	1	108.3180	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3815	0.504	2	107.3815	0.254	2	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8430	0.000	1	107.8430	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.9150	0.546	2	108.9150	0.298	2	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.1690	0.000	1	107.1690	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H){1|Fe<8>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|Fe<8>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3730	0.000	1	108.3730	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7540	0.000	1	107.7540	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5,6]Br)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]Br)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	107.1130	0.000	1	107.1130	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3780	0.000	1	107.3780	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.6410	0.000	1	107.6410	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.3040	0.000	1	106.3040	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	106.7724	0.165	5	107.4874	5.454	16	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.9470	0.000	1	107.4874	5.454	16	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.8989	2.928	10	107.4874	5.454	16	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	106.9870	0.000	1	106.9870	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	107.7550	0.000	1	107.7550	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	116.5280	0.000	1	116.5280	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H){1|H<1>,4|C<3>}	H(C[6]C[6]2C)	106.9570	0.000	1	106.9570	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2C)	107.2780	0.000	1	107.2780	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.5220	0.000	1	108.5220	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	108.1060	0.496	5	108.1770	0.227	6	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.5320	0.000	1	108.1770	0.227	6	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.0050	0.000	1	107.0050	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[3x6]C)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>}	C[6](C[6]C[3x6]C)(C[6]C[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	108.4790	0.000	1	108.4790	0.000	1	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	108.5400	0.221	3	108.5400	0.049	3	107.9234	3.848	46	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)(H){4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.4830	0.000	1	107.4830	0.000	1	106.9227	0.240	3	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|N<2>,2|C<4>}	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.5720	0.000	1	106.5720	0.000	1	106.9227	0.240	3	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7130	0.000	1	106.7130	0.000	1	106.9227	0.240	3	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(CH3)(H)	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(CH3)(H){4|C<4>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.2870	0.000	1	105.2870	0.000	1	105.5440	1.303	3	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]CH)(O){1|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6]2C)	106.7920	0.000	1	106.7920	0.000	1	105.5440	1.303	3	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H){4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	H(C[6]C[6]2C)	104.5530	0.000	1	104.5530	0.000	1	105.5440	1.303	3	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(CCHH)(H){2|C<3>,2|C<4>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2770	0.000	1	107.2770	0.000	1	107.1175	0.153	6	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6,6]O)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]N[6,6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2140	0.000	1	107.2140	0.000	1	107.1175	0.153	6	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.2670	0.626	2	107.0535	0.237	4	107.1175	0.153	6	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8400	0.371	2	107.0535	0.237	4	107.1175	0.153	6	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(CCHH)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(CCHH)(H){2|C<3>,2|C<4>}	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0960	0.000	1	107.0960	0.000	1	106.7424	2.647	15	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.2780	0.000	1	106.2780	0.000	1	106.7424	2.647	15	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.5750	0.000	1	106.5750	0.000	1	106.7424	2.647	15	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(CN[5]HH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(CN[5]HH)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.5300	0.000	1	108.5300	0.000	1	106.7424	2.647	15	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	102.9600	0.000	1	102.9600	0.000	1	106.7424	2.647	15	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2C)	110.6390	0.000	1	108.5500	8.728	2	106.7424	2.647	15	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4610	0.000	1	108.5500	8.728	2	106.7424	2.647	15	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.0635	0.599	2	106.0635	0.359	2	106.7424	2.647	15	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.8040	0.000	1	106.0940	1.008	2	106.7424	2.647	15	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	105.3840	0.000	1	106.0940	1.008	2	106.7424	2.647	15	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	H(C[6]C[6]2C)	107.2125	0.342	2	107.2125	0.117	2	106.7424	2.647	15	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H){3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2C)	106.9285	0.416	2	106.9285	0.173	2	106.7424	2.647	15	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(C[6]C[6]2H)(H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(C[6]C[6]2H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]2H)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]3)	105.7380	0.000	1	105.7380	0.000	1	105.7380	0.000	1	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(PO3)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]HP)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]H)(PO3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]HP)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2P)	107.2880	0.000	1	107.2880	0.000	1	107.2880	0.000	1	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(PO3)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HP)(O)	H(C[6]C[6]2P)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]HP)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2P)	105.9740	0.000	1	105.9740	0.000	1	105.9740	0.000	1	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H){1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]2S)	93.8745	0.000	1	93.8745	0.000	1	93.8745	0.000	1	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2S)	108.0000	0.000	1	107.7965	0.916	6	107.7965	0.916	6	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2S)	107.7558	1.064	5	107.7965	0.916	6	107.7965	0.916	6	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	N[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2S)	107.4925	0.021	2	107.4925	0.000	2	107.4925	0.000	2	107.0659	4.565	119	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:2:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(CCHH)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]CH)(N[6]N[6])	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]CH)(N[6]N[6]){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	107.6425	0.025	2	107.6425	0.001	2	107.6425	0.001	2	107.9513	0.286	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]N)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a])	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]N)(CCHH)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	107.9513	0.286	3	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]C)	106.4435	0.555	2	106.4435	0.308	2	106.2957	0.220	3	107.2201	0.722	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(CCH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(CCH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]C)	106.0000	0.000	1	106.0000	0.000	1	106.2957	0.220	3	107.2201	0.722	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5]C[5,6]C[5]C)(C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]H)(CC[6]H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]C)(C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]H)(CC[6]H){1|C<3>,3|H<1>,6|C<4>}	H(C[6]C[5]C[6]2)	106.3295	0.141	2	106.3295	0.020	2	106.3295	0.020	2	107.2201	0.722	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:3:	4:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]C)(C[6]S[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCC)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]C)(C[6]S[6]HH)(H){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCC){1|S<2>,3|H<1>,5|C<3>}	H(C[6]C[5]C[6]2)	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	107.2201	0.722	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(CH3)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2C)	107.6470	0.000	1	107.6470	0.000	1	108.0295	0.293	2	107.2201	0.722	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(CH3)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	108.4120	0.000	1	108.4120	0.000	1	108.0295	0.293	2	107.2201	0.722	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]2C)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.9393	0.243	4	107.9393	0.059	4	107.9234	0.046	5	107.2201	0.722	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]2C)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.8600	0.000	1	107.8600	0.000	1	107.9234	0.046	5	107.2201	0.722	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|Pd<5>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.5950	0.103	2	106.5950	0.011	2	106.5950	0.011	2	107.2201	0.722	15	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]C)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]C)(CCHH)(H){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	107.2572	0.680	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.9290	0.000	1	106.9290	0.000	1	107.1902	0.538	10	107.2572	0.680	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.1050	0.000	1	107.1050	0.000	1	107.1902	0.538	10	107.2572	0.680	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.8290	0.000	1	106.8290	0.000	1	107.1902	0.538	10	107.2572	0.680	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7245	0.149	2	107.7245	0.022	2	107.1902	0.538	10	107.2572	0.680	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]CH)(CHHO)	H(C[6]C[6]2C)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]CH)(CHHO){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2C)	108.4620	0.000	1	108.4620	0.000	1	107.1902	0.538	10	107.2572	0.680	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2C)	107.2540	0.000	1	107.1570	0.034	3	107.1902	0.538	10	107.2572	0.680	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.1085	0.233	2	107.1570	0.034	3	107.1902	0.538	10	107.2572	0.680	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]Nb[4x6]C)(C[6]C[6]CH)(CH3)	H(C[6]C[6]2C)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H){1|Nb<6>,1|C<4>}	C[6](C[6]Nb[4x6]C)(C[6]C[6]CH)(CH3){1|O<1>,1|O<2>,2|C<4>,3|N<3>}	H(C[6]C[6]2C)	105.6570	0.000	1	105.6570	0.000	1	107.1902	0.538	10	107.2572	0.680	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SiC3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SiC3){2|H<1>,4|C<3>}	H(C[6]C[6]2C)	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	107.2572	0.680	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(CCHH)(H)	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)	H(C[6]C[6]2C)	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(CCHH)(H){1|Si<5>,2|N<2>}	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH){1|C<3>,1|N<3>,2|O<2>,3|C<4>}	H(C[6]C[6]2C)	106.0400	0.000	1	106.0400	0.000	1	106.0400	0.000	1	107.2572	0.680	13	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]O[6]O)(CC3)(H)	C[6](C[6]C[3,6]CH)(O[6]C[6])(O)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]O[6]O)(CC3)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(O[6]C[6])(O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	105.8760	0.000	1	105.8760	0.000	1	105.8760	0.000	1	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.1530	0.000	1	106.4285	0.152	2	107.0607	0.960	8	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.7040	0.000	1	106.4285	0.152	2	107.0607	0.960	8	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.1950	0.322	2	107.1950	0.104	2	107.0607	0.960	8	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.5860	0.000	1	106.5860	0.000	1	107.0607	0.960	8	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CHHN)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CHHN)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]C)	108.1585	1.572	2	108.1585	2.471	2	107.0607	0.960	8	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.3360	0.000	1	106.3360	0.000	1	107.0607	0.960	8	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	105.9705	0.298	6	105.9820	0.075	7	105.8817	1.096	11	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.0510	0.000	1	105.9820	0.075	7	105.8817	1.096	11	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]N)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]N)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.5240	0.000	1	105.5240	0.000	1	105.8817	1.096	11	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]O)(CHHO)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]O)(CHHO)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	103.1500	0.000	1	103.1500	0.000	1	105.8817	1.096	11	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.1090	0.000	1	107.1090	0.000	1	105.8817	1.096	11	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.0420	0.000	1	107.0420	0.000	1	105.8817	1.096	11	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	105.7340	0.000	1	106.1167	0.114	3	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.3080	0.096	2	106.1167	0.114	3	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CH3)(H){2|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.2150	0.000	1	107.2150	0.000	1	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(CCHH)(H){4|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.3150	0.000	1	107.3150	0.000	1	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.1210	0.000	1	106.1210	0.000	1	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.5277	0.847	3	106.5277	0.717	3	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	103.3160	0.000	1	103.3160	0.000	1	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.5000	0.000	1	106.5000	0.000	1	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	105.6340	0.000	1	105.2055	0.367	2	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	104.7770	0.000	1	105.2055	0.367	2	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	105.0150	0.000	1	105.0150	0.000	1	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.1740	0.000	1	95.2142	198.393	2	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	85.2545	0.000	1	95.2142	198.393	2	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	103.0615	1.375	2	103.0615	1.892	2	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.2970	0.000	1	108.2970	0.000	1	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCH)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.3490	0.000	1	106.3490	0.000	1	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	103.0540	0.000	1	103.0540	0.000	1	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]CH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	103.0100	0.000	1	103.0100	0.000	1	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.5875	0.145	2	106.5875	0.021	2	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.7850	0.845	3	106.7850	0.714	3	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	106.2410	0.000	1	106.0734	1.683	7	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.0455	1.419	6	106.0734	1.683	7	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6]2C)	105.8560	0.000	1	105.8560	0.000	1	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.5340	0.000	1	105.5340	0.000	1	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCHH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.7115	0.267	2	106.7115	0.071	2	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.3650	0.600	2	106.1933	0.268	3	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|H<1>,3|C<3>}	H(C[6]C[6]2C)	105.8500	0.000	1	106.1933	0.268	3	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(O){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2C)	106.9437	1.047	3	106.9437	1.097	3	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.0170	0.000	1	106.5340	0.467	2	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	106.0510	0.000	1	106.5340	0.467	2	105.5309	11.132	46	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:1:	4:	S[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](S[6]C[6]OO)(C[6]O[6]O)(CHHN)(H)	C[6](C[6]S[6]CH)(O[6]C[6])(O)	H(C[6]C[6]S[6]C)	C[6](S[6]C[6]OO)(C[6]O[6]O)(CHHN)(H){1|C<4>,2|H<1>}	C[6](C[6]S[6]CH)(O[6]C[6])(O){1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6]S[6]C)	107.2670	0.000	1	107.2670	0.000	1	107.2670	0.000	1	105.8023	8.135	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:2:3:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]C)(PC[6a]2O)(H)	C[6](C[6]C[6]HP)(O[6]C[6,6])(CCC)	H(C[6]C[6]2P)	C[6](C[6]C[6,6]HH)(C[6]O[6]C)(PC[6a]2O)(H){2|C<3>}	C[6](C[6]C[6]HP)(O[6]C[6,6])(CCC){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2P)	107.7610	0.000	1	107.7610	0.000	1	107.7610	0.000	1	107.7610	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	105.5760	0.000	1	106.5498	0.867	14	106.5498	0.867	14	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	106.6430	0.000	1	106.5498	0.867	14	106.5498	0.867	14	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	105.8250	0.000	1	106.5498	0.867	14	106.5498	0.867	14	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	106.5275	0.361	2	106.5498	0.867	14	106.5498	0.867	14	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|C<3>,3|C<4>}	H(C[6]C[3,6]C[6]C)	106.2590	0.000	1	106.5498	0.867	14	106.5498	0.867	14	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|N<2>,3|C<4>}	H(C[6]C[3,6]C[6]C)	106.5103	0.349	3	106.5498	0.867	14	106.5498	0.867	14	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	106.1690	0.000	1	106.5498	0.867	14	106.5498	0.867	14	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3,6]C[6]C)	106.4200	0.000	1	106.5498	0.867	14	106.5498	0.867	14	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]C)	106.2420	0.000	1	106.5498	0.867	14	106.5498	0.867	14	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	107.9885	2.220	2	106.5498	0.867	14	106.5498	0.867	14	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	106.3140	0.040	2	106.2515	0.041	4	106.2515	0.041	4	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	H(C[6]C[3,6]C[6]C)	106.1890	0.325	2	106.2515	0.041	4	106.2515	0.041	4	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]C)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,5,6,6]C[6]C)	107.9020	0.330	2	107.9020	0.109	2	107.9020	0.109	2	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,5,6]C[6]C)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(CH3)(H){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[5,5,6]CH)(C[6]C[6]H)(H){1|O<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]C)	106.6070	0.209	2	106.6070	0.044	2	106.6070	0.044	2	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6,6]C[6]C)	107.1400	0.214	7	107.1400	0.046	7	107.1400	0.046	7	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.3330	0.000	1	107.3330	0.000	1	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.5020	0.000	1	106.5020	0.000	1	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.4980	0.000	1	108.4980	0.000	1	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]C)	105.2210	0.000	1	105.2210	0.000	1	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]C)	106.0900	0.000	1	106.0900	0.000	1	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCCO)(H){1|H<1>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.1525	0.131	2	106.1525	0.017	2	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.4850	0.000	1	106.4850	0.000	1	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.0800	0.000	1	106.0800	0.000	1	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	105.8380	0.000	1	105.8380	0.000	1	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.2375	0.804	2	107.2375	0.646	2	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CN[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.8240	0.153	2	106.8240	0.023	2	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.4910	0.000	1	106.4910	0.000	1	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.4340	0.000	1	107.4340	0.000	1	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.4380	0.000	1	107.2220	0.093	2	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.0060	0.000	1	107.2220	0.093	2	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)(H){1|O<1>,2|C<3>,3|H<1>,3|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	106.1990	0.000	1	106.1990	0.000	1	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CCHH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.2250	0.704	2	107.2250	0.496	2	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.7640	0.000	1	106.7640	0.000	1	106.7390	0.561	22	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.9310	0.000	1	106.9310	0.000	1	107.0946	0.234	5	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]C)	106.4990	0.000	1	106.4990	0.000	1	107.0946	0.234	5	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	107.5890	0.000	1	107.5890	0.000	1	107.0946	0.234	5	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(CH3)(H){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.5980	0.000	1	107.5980	0.000	1	107.0946	0.234	5	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]C)	106.8560	0.000	1	106.8560	0.000	1	107.0946	0.234	5	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CCHH)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CCHH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]C)	107.3610	0.000	1	107.3610	0.000	1	107.1047	0.379	3	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]S)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5,6]CH)(N[6]C[6]S)(O){4|C<3>}	H(C[6]C[5,6]C[6]C)	107.5510	0.000	1	107.5510	0.000	1	107.1047	0.379	3	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6,6a]C)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]O)(CH3)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(N[6]C[6,6a]C)(O){1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]C)	106.4020	0.000	1	106.4020	0.000	1	107.1047	0.379	3	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:S-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(SC[6a]OO)(H)	C[6](C[6]C[5,6]HS)(N[6]C[6]C)(O)	H(C[6]C[5,6]C[6]S)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HS)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]S)	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.7080	0.000	1	107.7080	0.000	1	107.3318	2.533	15	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.3420	1.506	2	108.2189	1.501	8	107.3318	2.533	15	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.9285	0.268	4	108.2189	1.501	8	107.3318	2.533	15	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|N<4>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	109.6765	1.377	2	108.2189	1.501	8	107.3318	2.533	15	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]Si)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(H){1|Si<4>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]Si)(H){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	105.5095	0.445	2	105.5095	0.198	2	107.3318	2.533	15	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)(H){2|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]C)	105.0790	0.375	2	105.0790	0.140	2	107.3318	2.533	15	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.9090	0.000	1	106.9090	0.000	1	107.3318	2.533	15	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(CH3)(H){1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.4320	0.000	1	108.4320	0.000	1	107.3318	2.533	15	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.4480	0.000	1	106.4480	0.000	1	107.7278	0.752	4	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]C)	108.3550	0.000	1	108.3550	0.000	1	107.7278	0.752	4	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.0540	0.107	2	108.0540	0.012	2	107.7278	0.752	4	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	105.8749	0.265	16	105.8749	0.070	16	105.9190	0.073	19	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(CCHH)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.0830	0.000	1	106.0830	0.000	1	105.9190	0.073	19	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.0190	0.000	1	106.0190	0.000	1	105.9190	0.073	19	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.3600	0.000	1	106.3600	0.000	1	105.9190	0.073	19	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:N-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]C)(O)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6]HN)(C[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]N)	104.8455	0.206	2	102.0720	6.421	5	102.0720	6.421	5	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:N-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]C)(O)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HN)(C[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]N)	100.2230	0.000	3	102.0720	6.421	5	102.0720	6.421	5	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:P-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]N[6]O)(PO3)(H)	C[6](C[6]C[6,6]HP)(N[6]C[3x6]C)(O)	H(C[6]C[6,6]C[6]P)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]N[6]O)(PO3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HP)(N[6]C[3x6]C)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]P)	107.4890	0.000	1	107.4890	0.000	1	107.4890	0.000	1	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:S-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(SC[6a]OO)(H)	C[6](C[6]C[6,6]HS)(N[6]C[6]C)(O)	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HS)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]S)	107.5980	0.000	1	107.5980	0.000	1	107.6380	0.003	2	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:S-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(SC[6a]OO)(H)	C[6](C[6]C[6,6]HS)(N[6]C[6,6]H)(O)	H(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]HS)(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]S)	107.6780	0.000	1	107.6780	0.000	1	107.6380	0.003	2	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:Si-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H)	C[6](C[6]C[6,6]SiH)(C[6]C[5,6]H)(H)	H(C[6]C[6,6]C[6]Si)	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]SiH)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]Si)	103.5230	0.000	1	103.5230	0.000	1	104.9470	4.056	2	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:Si-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H)	C[6](C[6]C[6,6]SiH)(C[6]C[5a,6]H)(H)	H(C[6]C[6,6]C[6]Si)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6]SiH)(C[6]C[5a,6]H)(H){1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]Si)	106.3710	0.000	1	106.3710	0.000	1	104.9470	4.056	2	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(Br)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(CC3)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(Br){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.1480	0.000	2	107.1480	0.000	2	107.1480	0.000	2	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:F-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(F)	H(C[6]C[6]2C)	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H){1|C<4>,1|H<1>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(F){1|S<4>,4|H<1>}	H(C[6]C[6]2C)	106.8500	0.000	1	106.8500	0.000	1	106.8500	0.000	1	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8480	0.000	1	107.8480	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2C)	106.2650	0.000	1	106.2650	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.7730	0.000	1	108.7730	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.2700	0.000	1	105.2700	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	106.7380	1.263	2	106.7380	1.595	2	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]Si)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]Si)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	108.9270	0.000	1	108.9270	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4080	0.000	1	107.4080	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.3045	0.132	2	106.3045	0.017	2	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2C)	107.2660	0.000	1	107.0245	0.117	2	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2C)	106.7830	0.000	1	107.0245	0.117	2	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|W<7>,3|H<1>}	H(C[6]C[6]2C)	107.5960	0.000	1	107.5960	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.6290	0.000	1	106.6290	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCW)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCW)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0260	0.000	1	108.0260	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9790	0.000	1	106.9790	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	112.3700	0.000	1	112.3700	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0390	0.000	1	108.0390	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	103.6835	3.215	2	103.6835	10.338	2	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.0300	0.000	1	107.0300	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2520	0.000	1	107.2520	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3200	0.000	1	108.3200	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.0350	0.000	1	106.0350	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.8040	0.365	2	106.9862	0.090	4	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1685	0.067	2	106.9862	0.090	4	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	108.1500	0.000	1	108.1500	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8870	0.000	1	107.0212	1.106	4	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.7020	0.000	1	107.0212	1.106	4	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9220	0.000	1	107.0212	1.106	4	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.5740	0.000	1	107.0212	1.106	4	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]C)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.5360	0.000	1	108.5360	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.4520	0.000	1	108.4520	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CInHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CInHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.9560	0.000	1	106.9560	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.1480	0.000	1	107.1480	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7060	0.000	1	107.6150	0.017	2	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.5240	0.000	1	107.6150	0.017	2	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]IrH)(C[6]C[6]H)(CC[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]IrH)(C[6]C[6]H)(CC[5]HH)(H){3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|Ir<9>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	108.5940	0.000	1	108.5940	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CC3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|Pd<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9280	0.000	1	106.9280	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]SS)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]SS)(C[6]C[6]H)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|S<4>}	H(C[6]C[6]2C)	106.0760	0.000	1	106.0760	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2C)	107.5885	0.404	2	107.5885	0.163	2	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3440	0.000	1	107.3440	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(CC3)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	111.9810	0.000	1	111.9810	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)(H){1|Rh<8>,1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2C)	108.0010	0.000	1	108.0010	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	109.0910	0.000	1	109.0910	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]S[6]CS)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]2C)	C[6](C[6]S[6]CS)(C[6]C[6]H)(CCHH)(H){2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|S<2>}	H(C[6]C[6]2C)	107.5900	0.000	1	107.5900	0.000	1	107.3786	2.473	49	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.4250	0.000	1	107.4250	0.000	1	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){4|C<4>}	H(C[6]C[6]2C)	103.8760	0.000	1	103.8760	0.000	1	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]Br)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]Br)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	106.5990	0.000	1	106.5990	0.000	1	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.1010	0.000	1	106.1010	0.000	1	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]Si)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]Si)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7130	0.000	1	106.7130	0.000	1	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<3>,3|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.5730	0.000	1	107.5730	0.000	1	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.0995	0.011	2	106.6457	0.277	4	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.1920	0.091	2	106.6457	0.277	4	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	106.9287	0.767	3	106.9287	0.589	3	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.3660	0.000	1	106.3660	0.000	1	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.2100	0.000	1	107.2100	0.000	1	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.2090	0.000	1	109.2090	0.000	1	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.5710	0.000	1	105.5710	0.000	1	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<3>,1|I<1>,2|H<1>}	H(C[6]C[6]2C)	106.7460	0.000	1	106.7460	0.000	1	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2C)	106.9695	0.209	2	106.7557	0.159	3	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	106.3280	0.000	1	106.7557	0.159	3	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	103.7310	0.000	1	108.1462	11.090	4	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	110.6375	1.020	2	108.1462	11.090	4	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.5790	0.000	1	108.1462	11.090	4	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	H(C[6]C[6]2C)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2C)	94.3416	0.000	1	94.3416	0.000	1	106.4597	8.518	26	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(CH3)(H){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	106.8735	2.088	2	106.8735	4.360	2	106.8130	1.409	20	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.0660	0.000	1	107.0660	0.000	1	106.8130	1.409	20	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.5755	0.229	6	107.5755	0.052	6	106.8130	1.409	20	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.2870	0.000	1	107.2870	0.000	1	106.8130	1.409	20	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.1390	0.000	1	106.1390	0.000	1	106.8130	1.409	20	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.3050	0.000	1	105.3050	0.000	1	106.8130	1.409	20	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.0690	0.000	1	105.0690	0.000	1	106.8130	1.409	20	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHS)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHS)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.6640	0.000	1	107.6640	0.000	1	106.8130	1.409	20	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.3070	0.000	1	105.3070	0.000	1	106.8130	1.409	20	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2C)	107.3180	0.000	1	107.3180	0.000	1	106.8130	1.409	20	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(O){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.9370	0.000	1	106.9370	0.000	1	106.8130	1.409	20	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2C)	106.3223	2.075	3	106.3223	4.305	3	106.8130	1.409	20	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:S-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(S)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(S){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(PC[6a]2O)(H)	C[6](C[6]C[6]HP)(C[6]C[6]C)(Cl)	H(C[6]C[6]2P)	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(PC[6a]2O)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HP)(C[6]C[6]C)(Cl){1|P<4>,4|H<1>}	H(C[6]C[6]2P)	106.8830	0.000	1	106.8830	0.000	1	106.8830	0.000	1	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]H)(SCOO)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]BrC)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2S)	110.4820	1.871	2	110.4820	3.501	2	108.5356	2.175	9	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(SCOO)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]CC)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2S)	108.0046	0.969	5	108.0046	0.940	5	108.5356	2.175	9	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(SCOO)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]CH)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2S)	107.4760	0.000	1	107.4760	0.000	1	108.5356	2.175	9	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)	H(C[6]C[6]2S)	C[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2S)	108.3570	0.000	1	108.3570	0.000	1	108.5356	2.175	9	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2S)	106.6970	0.000	1	107.5970	0.617	3	107.5970	0.617	3	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2S)	108.0470	0.136	2	107.5970	0.617	3	107.5970	0.617	3	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(N[6]C[6]C)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HS)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2S)	107.3290	0.000	1	107.5585	0.105	2	107.5585	0.105	2	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(N[6]C[6]C)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HS)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	107.7880	0.000	1	107.5585	0.105	2	107.5585	0.105	2	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:C[6]-3:Si-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6,6]H)(H)	H(C[6]C[6]2Si)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6,6]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2Si)	106.8920	0.000	1	106.8920	0.000	1	106.8920	0.000	1	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:1:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.7005	0.008	2	107.7005	0.000	2	107.7005	0.000	2	106.8632	3.012	225	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(OC)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(CH3)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]C)	107.0770	0.000	1	107.0770	0.000	1	107.0770	0.000	1	107.2924	2.447	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]S)(OC)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]S)(OC){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]C)	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	107.2924	2.447	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(N[6]C[6,6])	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(N[6]C[6,6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.4700	0.000	1	107.4700	0.000	1	107.4700	0.000	1	107.2924	2.447	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NN[5])	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(NN[5]){1|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.2290	0.000	1	109.2290	0.000	1	108.6285	0.721	2	107.2924	2.447	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NC[6a])	H(C[6]C[6]2C)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(NC[6a]){1|N<3>,4|H<1>}	H(C[6]C[6]2C)	108.0280	0.000	1	108.0280	0.000	1	108.6285	0.721	2	107.2924	2.447	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	108.1600	0.000	1	108.1600	0.000	1	107.4106	0.690	9	107.2924	2.447	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	106.9930	0.000	1	106.9930	0.000	1	107.4106	0.690	9	107.2924	2.447	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OSi)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OSi){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.9560	0.000	1	105.9560	0.000	1	107.4106	0.690	9	107.2924	2.447	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9040	0.000	1	106.9040	0.000	1	107.4106	0.690	9	107.2924	2.447	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.1420	0.799	2	107.1420	0.638	2	107.4106	0.690	9	107.2924	2.447	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	108.3200	0.000	1	108.3200	0.000	1	107.4106	0.690	9	107.2924	2.447	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	108.0390	0.113	2	108.0390	0.013	2	107.4106	0.690	9	107.2924	2.447	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:S-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(SC[6a])	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(SC[6a]){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	107.2924	2.447	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	102.2200	0.000	1	102.2200	0.000	1	102.2200	0.000	1	107.2924	2.447	16	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CCC)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CC3)(H){2|Cl<1>,1|H<1>,2|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CCC){2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]C)	107.0540	0.000	1	107.0540	0.000	1	107.0540	0.000	1	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CCHO)(H)	C[6](C[6]C[5,6,6]CH)(C[6]O[6]O)(CCO)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CCHO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]O[6]O)(CCO){3|C<4>}	H(C[6]C[5,6,6]C[6]C)	105.1010	0.481	2	105.1010	0.231	2	105.1010	0.231	2	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]2)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]N[5]H)(C[6]C[6]N[6])(C[6]C[6]HH)(H){1|N<3>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]2){1|N<3>,4|C<4>,9|H<1>}	H(C[6]C[5]C[6]2)	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.3540	0.000	1	106.3540	0.000	1	106.3540	0.000	1	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H){1|C<4>,1|N<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.2195	0.251	2	108.5657	0.118	12	108.6142	0.137	23	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H){1|C<4>,1|N<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.8855	0.190	2	108.5657	0.118	12	108.6142	0.137	23	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.6860	0.313	2	108.5657	0.118	12	108.6142	0.137	23	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]CuC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.5345	0.352	6	108.5657	0.118	12	108.6142	0.137	23	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]FeC)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Fe)(C[6]C[6]H)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]FeC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Fe)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.9050	0.236	2	108.9050	0.056	2	108.6142	0.137	23	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]MnC)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Mn)(C[6]C[6]H)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]MnC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Mn)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	107.9680	0.000	1	107.9680	0.000	1	108.6142	0.137	23	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]NiC)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]NiC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.3255	0.455	2	108.7342	0.171	6	108.6142	0.137	23	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]NiC)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]NiC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.9385	0.222	4	108.7342	0.171	6	108.6142	0.137	23	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:N[6]-4:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]ZnC)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Zn)(C[6]C[6]H)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6])(N[6]C[6]ZnC)(H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Zn)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]N[6])	108.5775	0.337	2	108.5775	0.114	2	108.6142	0.137	23	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH){1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7610	0.000	1	107.7610	0.000	1	107.4631	1.818	15	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCrO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCrO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	103.8460	0.000	1	103.8460	0.000	1	107.4631	1.818	15	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6]HH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	107.7600	0.030	2	107.7600	0.001	2	107.4631	1.818	15	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	107.8130	0.000	1	107.8130	0.000	1	107.4631	1.818	15	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	110.0220	0.000	1	110.0220	0.000	1	107.4631	1.818	15	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.8760	0.000	1	106.8760	0.000	1	107.4631	1.818	15	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8670	0.000	1	108.2930	0.136	3	107.4631	1.818	15	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.5060	0.000	2	108.2930	0.136	3	107.4631	1.818	15	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH){1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.8130	0.000	1	106.8130	0.000	1	107.4631	1.818	15	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.1840	0.540	2	107.1840	0.292	2	107.4631	1.818	15	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2C)	107.8870	0.000	1	107.8870	0.000	1	107.4631	1.818	15	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	H(C[6]C[6]2C)	C[6](C[6]C[6]OO)(C[6]C[6]C)(CCHN)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2C)	106.1610	0.000	1	106.1610	0.000	1	107.4631	1.818	15	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.3860	0.000	1	108.3860	0.000	1	108.3860	0.000	1	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]O)	H(C[6]C[6]3)	C[6](C[6]C[6,6]HH)(C[6]C[6]N[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]3)	107.0597	0.163	3	107.0597	0.027	3	107.0597	0.027	3	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(CCH)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]HS)(C[6]C[6]C)(CCH){1|C<4>,3|H<1>}	H(C[6]C[6]2S)	107.0380	0.000	1	107.0380	0.000	1	107.0380	0.000	1	107.8830	1.332	50	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CCHN)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CCHN)(H){2|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]C)	105.9990	0.000	1	105.9990	0.000	1	105.9990	0.000	1	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(CH3)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.9850	0.000	1	106.9850	0.000	1	106.3809	0.377	21	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(CH3)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.6570	0.000	1	106.6570	0.000	1	106.3809	0.377	21	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	106.3582	0.187	5	106.3582	0.035	5	106.3809	0.377	21	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCHH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	106.1890	0.000	1	106.1890	0.000	1	106.3809	0.377	21	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	105.4300	0.000	1	105.4300	0.000	1	106.3809	0.377	21	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.4998	0.366	4	106.2362	0.149	9	106.3809	0.377	21	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.0254	0.269	5	106.2362	0.149	9	106.3809	0.377	21	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.1555	0.043	2	106.1555	0.002	2	106.3809	0.377	21	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CHHN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CHHN)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	108.5090	0.000	1	108.5090	0.000	1	106.3809	0.377	21	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(CH3)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.8370	0.000	1	106.8370	0.000	1	106.0746	1.725	10	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	103.6100	0.000	1	103.6100	0.000	1	106.0746	1.725	10	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCHH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.1140	0.000	1	106.1140	0.000	1	106.0746	1.725	10	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CC[6]HH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CC[6]HH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.1420	0.000	1	106.1420	0.000	1	106.0746	1.725	10	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.9142	0.864	5	105.9142	0.747	5	106.0746	1.725	10	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]C)	108.4720	0.000	1	108.4720	0.000	1	106.0746	1.725	10	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	103.9930	0.000	2	103.9930	0.000	2	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.8710	0.322	4	106.3625	0.721	6	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.3455	0.629	2	106.3625	0.721	6	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	103.0620	0.000	1	103.0620	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]HH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]HH)(H){2|C<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]HH){1|C<4>,2|C<2>,2|H<1>}	H(C[6]C[6]2C)	106.3750	0.000	1	106.3750	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|H<1>,2|C<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,2|C<2>,2|H<1>}	H(C[6]C[6]2C)	107.4180	0.000	1	107.4180	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.5950	0.000	1	106.5950	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.6060	0.000	1	105.6060	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]H)(CCHO)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]H)(CCHO){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2C)	105.9650	0.000	1	105.9650	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	105.5200	0.000	1	105.5200	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CSiHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CSiHH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.4480	0.000	1	108.4480	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1230	0.000	1	108.1230	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2470	0.000	1	107.2470	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	107.0180	0.000	1	107.0180	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4500	0.000	1	107.4500	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6640	0.000	1	107.6640	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3){1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6250	0.000	1	107.6250	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	106.8580	0.000	1	106.8580	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2C)	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[6]2C)	105.7660	0.000	1	105.7660	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.5375	0.114	2	106.1290	1.056	3	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	H(C[6]C[6]2C)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.3120	0.000	1	106.1290	1.056	3	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	H(C[6]C[6]2C)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H){1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|N<3>,4|H<1>}	H(C[6]C[6]2C)	106.4080	0.000	1	106.4080	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)	H(C[6]C[6]2C)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.0440	0.000	1	107.0440	0.000	1	106.3703	1.600	29	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(CHHN)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(CHHN){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,3|C<4>}	H(C[6]C[6]N[6]C)	106.6010	0.000	1	106.6010	0.000	1	106.5890	0.271	5	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	105.9230	0.000	1	106.1600	0.112	2	106.5890	0.271	5	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){4|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	106.3970	0.000	1	106.1600	0.112	2	106.5890	0.271	5	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:3:4:	4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.0120	0.494	2	107.0120	0.244	2	106.5890	0.271	5	106.3545	1.077	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(O)	H(C[6]C[3,6]C[6]C)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]C)	105.2720	0.000	1	105.2720	0.000	1	105.2720	0.000	1	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[4,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]O)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[4,6]CH)(O)	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]O)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[4,6]CH)(O){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[4,6]C[6]C)	106.9200	0.000	1	106.9200	0.000	1	106.9200	0.000	1	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[5,6]O)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6,6]CH)(O)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[5,6]O)(CH3)(H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6,6]CH)(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]C)	106.1395	0.124	2	106.1395	0.015	2	106.1395	0.015	2	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]O)(CBrHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(O)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]O)(CBrHH)(H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(O){8|C<4>}	H(C[6]C[5,6,6]C[6]C)	102.7410	0.000	1	102.7410	0.000	1	102.7410	0.000	1	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]CH)(O)	H(C[6]C[5,6,6]C[6]C)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]O)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]C)	106.7080	0.000	1	106.7080	0.000	1	106.7080	0.000	1	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]H)(CH3)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]H)(CH3)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[5,6]CH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(CH3)(H){1|O<1>,6|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]C)	106.3665	1.054	2	106.3665	1.112	2	106.7950	1.107	3	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O)(CH3)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(O){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]C)	107.6520	0.000	1	107.6520	0.000	1	106.7950	1.107	3	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O){3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]C)	102.2550	0.000	1	102.4397	0.026	3	102.4397	0.026	3	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]O)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	102.5320	0.011	2	102.4397	0.026	3	102.4397	0.026	3	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHHS)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHHS)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	104.2730	0.000	1	104.2730	0.000	1	107.1784	1.511	18	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(CH3)(H){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.5770	0.000	1	107.5770	0.000	1	107.1784	1.511	18	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHH)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.6680	0.000	1	106.6680	0.000	1	107.1784	1.511	18	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(CCHO)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	105.0780	0.000	1	105.0780	0.000	1	107.1784	1.511	18	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	107.6030	0.000	1	107.6030	0.000	1	107.1784	1.511	18	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.7670	0.000	1	107.7670	0.000	1	107.1784	1.511	18	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.3930	1.254	5	107.3930	1.572	5	107.1784	1.511	18	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.2140	0.000	1	106.2140	0.000	1	107.1784	1.511	18	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]CH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[5,6]CH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.3130	0.000	1	107.3130	0.000	1	107.1784	1.511	18	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)2(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)2(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.7595	0.330	2	107.7025	0.069	4	107.1784	1.511	18	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]CH)2(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CH3)(H){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)2(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.6455	0.293	2	107.7025	0.069	4	107.1784	1.511	18	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CHHN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(CHHN)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(O){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]C)	108.9430	0.000	1	108.9430	0.000	1	107.1784	1.511	18	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6,6]CH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6,6]CH)(O){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]C)	106.7330	0.000	1	106.7330	0.000	1	107.5400	0.302	4	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]CH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]CH)(O){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	107.8030	0.191	2	107.8030	0.036	2	107.5400	0.302	4	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(O){1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]C)	107.8210	0.000	1	107.8210	0.000	1	107.5400	0.302	4	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)2(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CH)2(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.2965	0.241	2	108.2965	0.058	2	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	107.4900	0.000	1	107.4900	0.000	1	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.6230	0.000	1	107.6230	0.000	1	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.8295	0.059	2	108.8295	0.003	2	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	108.7100	0.000	1	107.3035	3.956	2	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.8970	0.000	1	107.3035	3.956	2	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.9080	0.000	1	107.9080	0.000	1	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.4530	0.000	1	106.9504	1.141	9	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	107.0126	1.124	8	106.9504	1.141	9	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(O){2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	108.5160	0.000	1	108.5160	0.000	1	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.1860	0.000	1	106.1860	0.000	1	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(O){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]C)	106.6990	0.000	1	106.6990	0.000	1	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]O)(CH3)(H){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	106.5430	0.000	1	106.5430	0.000	1	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(O){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]C)	106.8890	0.218	2	106.8890	0.047	2	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]C)	108.5630	0.000	1	108.5630	0.000	1	107.3888	1.119	25	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(O){1|C<3>,5|C<4>}	H(C[6]C[6]2C)	102.4300	0.000	1	102.4300	0.000	1	103.4700	2.163	2	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6]2C)	104.5100	0.000	1	104.5100	0.000	1	103.4700	2.163	2	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O){2|C<4>,6|H<1>}	H(C[6]C[6]2C)	106.1260	0.000	1	106.1260	0.000	1	107.2664	0.465	5	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(O){3|C<4>,5|H<1>}	H(C[6]C[6]2C)	107.7785	0.149	2	107.7785	0.022	2	107.2664	0.465	5	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(O){1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.3245	0.067	2	107.3245	0.005	2	107.2664	0.465	5	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2C)	107.2930	0.000	1	107.2930	0.000	1	108.5225	3.023	2	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2C)	109.7520	0.000	1	109.7520	0.000	1	108.5225	3.023	2	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|B<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	104.4338	1.108	5	104.4338	1.229	5	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.1340	0.000	1	106.1340	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[3,6]C[6a]C)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[3,6]C[6a]C)(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.3520	0.000	1	107.3520	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7920	0.000	1	107.7920	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|C<3>,4|C<4>}	H(C[6]C[6]2C)	106.6040	0.000	1	106.0017	0.291	3	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){5|C<4>}	H(C[6]C[6]2C)	105.7005	0.196	2	106.0017	0.291	3	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	100.6770	0.000	1	100.6770	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|H<1>,4|C<4>}	H(C[6]C[6]2C)	105.9270	0.000	1	105.9270	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.1905	0.740	2	106.1905	0.548	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	104.3550	0.000	1	104.3550	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[5]O)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[5]O)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2C)	107.0870	0.000	1	107.0870	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.3880	0.000	1	107.3880	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.3660	0.000	1	107.3660	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.3020	0.000	1	106.3020	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.4480	0.000	1	106.4480	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.0385	0.816	4	105.0385	0.666	4	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CC[3]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CC[3]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.4350	0.000	2	105.4350	0.000	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.7250	0.000	1	106.7250	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.5430	0.000	1	107.7605	0.095	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.9780	0.000	1	107.7605	0.095	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.1340	0.000	1	107.7000	0.641	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.2660	0.000	1	107.7000	0.641	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.5085	0.139	2	107.5085	0.019	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.3960	0.000	1	106.3960	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	103.1460	0.683	2	103.1460	0.467	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.8890	0.000	1	106.8890	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.5080	0.000	1	106.5080	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9500	0.215	2	106.9500	0.046	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.4770	0.000	1	107.4770	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.7660	0.000	2	105.5147	0.190	3	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.0120	0.000	1	105.5147	0.190	3	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.6260	0.000	1	107.6260	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.2785	0.387	2	105.2785	0.150	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.8500	0.000	1	106.8500	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|H<1>,4|C<4>}	H(C[6]C[6]2C)	105.6510	0.000	1	107.0776	1.045	9	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.4020	0.047	2	107.0776	1.045	9	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.7220	0.000	1	107.0776	1.045	9	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8515	0.374	2	107.0776	1.045	9	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.9393	0.052	3	107.0776	1.045	9	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.8290	0.000	1	106.9010	1.722	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(O){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.9730	0.000	1	106.9010	1.722	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.9000	0.000	1	106.9000	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(O){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	107.0880	0.000	1	107.0880	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.1330	0.000	1	106.8930	0.443	3	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2C)	107.3730	0.000	1	106.8930	0.443	3	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.1730	0.000	1	106.8930	0.443	3	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(O){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.7520	0.000	1	105.7520	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2C)	107.2500	0.000	1	107.2500	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]2C)	107.7090	0.000	1	107.7090	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.7770	0.000	1	107.7770	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.5450	0.000	1	106.5450	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	104.8790	0.000	1	104.7565	0.030	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	104.6340	0.000	1	104.7565	0.030	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8720	0.301	4	107.3906	0.788	8	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.9945	0.175	2	107.3906	0.788	8	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.8240	0.100	2	107.3906	0.788	8	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	103.6290	0.000	1	103.6290	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.5925	0.619	2	106.5925	0.383	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.5770	0.000	1	107.5770	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.8780	0.781	3	106.3500	1.522	4	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	104.7660	0.000	1	106.3500	1.522	4	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	109.9100	0.000	1	109.9100	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.0250	0.000	1	107.0250	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.0940	0.000	1	108.0940	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.8050	0.000	1	106.1210	0.200	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.4370	0.000	1	106.1210	0.200	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]CC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.4160	0.000	1	105.4160	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.1305	0.521	2	106.3937	0.453	6	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2C)	106.5430	0.000	1	106.3937	0.453	6	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	105.4310	0.000	1	106.3937	0.453	6	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2C)	107.0635	0.097	2	106.3937	0.453	6	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2C)	106.5970	0.000	1	106.5970	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.3330	0.000	1	106.3330	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.7943	0.445	8	107.8614	0.182	10	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.1300	0.266	2	107.8614	0.182	10	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.4360	0.000	1	107.4360	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9690	0.000	1	107.9690	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.4265	0.022	2	107.4265	0.000	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.1968	1.394	4	107.1968	1.943	4	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.2930	0.000	1	107.6625	0.273	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.0320	0.000	1	107.6625	0.273	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(O){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.2680	0.000	1	106.2680	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.9917	0.221	3	107.9128	0.058	4	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6760	0.000	1	107.9128	0.058	4	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CS)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CS)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6740	0.000	1	107.6740	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	107.9680	0.000	1	107.9680	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2C)	105.6400	0.000	1	105.6400	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2C)	107.4480	0.000	1	107.4480	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.9290	0.000	1	106.9290	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	107.5900	0.000	1	107.5900	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.3965	0.138	2	108.3965	0.019	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	104.0120	0.000	1	104.0120	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CH3)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.6130	0.000	1	107.6130	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.1565	0.133	4	106.7273	0.793	6	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.8690	0.016	2	106.7273	0.793	6	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.7160	0.000	1	107.7824	0.470	10	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.4616	0.466	5	107.7824	0.470	10	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.7710	0.000	1	107.7824	0.470	10	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.3430	0.070	3	107.7824	0.470	10	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(O){1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.0110	0.000	1	108.0110	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.5180	0.000	1	107.8675	0.244	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.2170	0.000	1	107.8675	0.244	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.0290	0.000	1	107.0612	0.106	17	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.0267	0.314	15	107.0612	0.106	17	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.6120	0.000	1	107.0612	0.106	17	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.3620	0.000	1	107.8269	0.552	32	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.8468	0.863	22	107.8269	0.552	32	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.6571	0.339	8	107.8269	0.552	32	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(O){1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.2140	0.000	1	107.8269	0.552	32	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)2(O){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.3890	0.239	4	107.3890	0.057	4	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(O){1|N<3>,4|H<1>}	H(C[6]C[6]2C)	107.5095	0.216	2	107.5095	0.047	2	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.3830	0.000	1	107.3830	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	107.7220	0.723	4	107.7220	0.522	4	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	108.1900	0.000	1	108.1900	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2C)	106.7330	0.968	3	106.7330	0.937	3	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|S<2>,4|H<1>}	H(C[6]C[6]2C)	108.2920	0.000	1	108.2920	0.000	1	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|S<2>,4|H<1>}	H(C[6]C[6]2C)	107.7540	0.079	3	107.7540	0.006	3	107.0068	1.533	224	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ni)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ni)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	108.3070	0.000	1	108.3070	0.000	1	103.3573	22.525	5	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Pt)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Pt)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	106.3140	0.000	1	106.3140	0.000	1	103.3573	22.525	5	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ru)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]2Ru)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	100.2303	5.880	2	100.2303	34.573	2	103.3573	22.525	5	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]ReC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PC[6]ReC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2P)	101.7050	0.000	1	101.7050	0.000	1	103.3573	22.525	5	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:C[6]-3:P-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(O)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HP)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2P)	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:1:	4:	N[6]-4:C[6]-3:C-4:H-1:	N[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]H)(CHHS)(H)	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6]NiC)(C[6]N[6]H)(CHHS)(H){2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	106.9277	2.312	300	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N)(CHHN)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N)(CHHN)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(NO){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.2090	0.000	1	106.2090	0.000	1	106.2090	0.000	1	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.1690	0.000	1	105.1690	0.000	1	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	105.9597	1.960	3	105.9597	3.842	3	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)2(NO)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(NO){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.6590	0.427	2	107.6590	0.182	2	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.6940	0.000	1	106.6940	0.000	1	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NN){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	105.5050	0.000	1	105.5050	0.000	1	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.1110	0.000	1	106.1970	0.638	3	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	105.7400	0.148	2	106.1970	0.638	3	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.0575	0.069	2	107.0575	0.005	2	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.7580	0.436	2	107.7580	0.190	2	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	108.1260	0.000	1	107.3560	0.245	8	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	106.6920	0.000	1	107.3560	0.245	8	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.3383	0.369	6	107.3560	0.245	8	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)2(NO)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)2(NO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.6857	1.008	4	107.6350	0.576	8	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)2(NO)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CH)2(NO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.6800	0.400	2	107.6350	0.576	8	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)2(NO)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CH)2(NO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.4885	0.876	2	107.6350	0.576	8	107.0553	1.071	31	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	107.0705	1.083	33	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(CHH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(CHH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]C)	106.8730	0.000	1	106.8730	0.000	1	107.1580	0.806	4	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CHH)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CHH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	106.0150	0.000	1	106.0150	0.000	1	107.1580	0.806	4	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[5,6]CH)2(CCC)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)2(CCC){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	107.8720	0.109	2	107.8720	0.012	2	107.1580	0.806	4	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]2)(CC[6]HH)(H)	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)	H(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]2)(CC[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	106.3250	0.000	1	106.3250	0.000	1	106.3250	0.000	1	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.4630	0.000	1	105.4630	0.000	1	106.0897	0.493	27	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.8510	0.156	2	105.8808	0.374	19	106.0897	0.493	27	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	105.8844	0.648	17	105.8808	0.374	19	106.0897	0.493	27	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.6710	0.000	1	106.6710	0.000	1	106.0897	0.493	27	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	106.7970	0.653	4	106.7970	0.426	4	106.0897	0.493	27	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CHH)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]C)	107.1990	0.000	1	107.1990	0.000	1	106.0897	0.493	27	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHO)	H(C[6]C[6,6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	106.1640	0.000	1	106.1640	0.000	1	106.0897	0.493	27	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]H)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.6480	0.000	1	105.6480	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	110.2450	0.000	1	110.2450	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH){1|C<3>,3|C<4>}	H(C[6]C[6]2C)	107.3190	0.000	1	107.3190	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.1945	0.767	2	105.9570	0.464	3	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.4820	0.000	1	105.9570	0.464	3	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	104.3880	0.000	1	104.3880	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){2|C<3>,3|H<1>}	H(C[6]C[6]2C)	106.5740	0.000	1	106.5230	0.005	2	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.4720	0.000	1	106.5230	0.005	2	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H){1|C<4>,2|H<1>,2|S<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	107.3890	0.000	1	107.3890	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	105.9280	0.000	1	105.9280	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.3440	0.000	1	107.3440	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CSiH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CSiH){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	106.4880	0.000	1	106.4880	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CHH){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	107.0620	0.000	1	107.0620	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.7870	0.221	4	106.7870	0.049	4	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.5340	0.000	1	106.5340	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CC[6a]C)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CC[6a]C){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2C)	108.3190	0.000	1	108.3190	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.2650	0.000	1	106.2650	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCH){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	106.5320	0.000	1	106.5320	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.7480	0.000	1	108.7480	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHH){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	106.1930	0.000	1	106.1930	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CHH){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	107.7710	0.000	1	107.7710	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2C)	108.0050	0.000	1	108.0050	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2C)	107.1595	0.240	2	107.1595	0.057	2	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]B[6]HH)(C[6]C[6]CH)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H){1|B<4>,4|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]CH)(CCH){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6]2C)	107.1390	0.000	1	107.1390	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)	H(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2C)	107.3560	0.000	1	107.3560	0.000	1	106.9019	1.170	30	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]2C)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H){1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6]2C)	106.3230	0.346	3	106.3230	0.120	3	106.3230	0.120	3	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC)	H(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HS)(CHH)	H(C[6]C[6]2S)	C[6](C[6]O[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HS)(CHH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2S)	106.9970	0.000	1	106.9970	0.000	1	106.9970	0.000	1	106.5909	1.024	67	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	2:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]2H)(C[6]O[6]O)(H)	C[6](O[6]C[6,6a])(C[6]C[6]2H)(O)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]CH)(C[6]C[6]2H)(C[6]O[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]2H)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]3)	107.9597	0.221	3	107.9597	0.049	3	107.9447	0.475	7	107.9447	0.475	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	2:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H)	C[6](O[6]C[6,6a])(C[6]C[6]2H)(O)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H){1|Br<1>,1|C<4>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]2H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]3)	106.5370	0.000	1	107.8460	1.329	3	107.9447	0.475	7	107.9447	0.475	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	2:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H)	C[6](O[6]C[6,6a])(C[6]C[6]2H)(O)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]2H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]3)	108.5005	0.298	2	107.8460	1.329	3	107.9447	0.475	7	107.9447	0.475	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	2:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	O[6]-2:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]O[6]O)(H)	C[6](O[6]C[6,6a])(C[6]C[6]2H)(O)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]2H)(C[6]O[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]2H)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]3)	108.1960	0.000	1	108.1960	0.000	1	107.9447	0.475	7	107.9447	0.475	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6]-4:C-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(CC[6a]FeN)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(CC[6a]FeN)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|Fe<8>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	109.3815	2.484	2	109.3815	6.171	2	109.3815	6.171	2	108.0159	4.938	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]2H)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]3)	108.0925	0.455	2	108.0925	0.207	2	107.5607	4.684	6	108.0159	4.938	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5a]O[6])(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6]C[5a]O[6])(C[6]C[6]2H)(H){1|N<2>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]3)	111.3040	0.000	1	111.3040	0.000	1	107.5607	4.684	6	108.0159	4.938	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]HN)(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]3)	105.5700	0.170	2	105.5700	0.029	2	107.5607	4.684	6	108.0159	4.938	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]2H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]3)	106.7350	0.000	1	106.7350	0.000	1	107.5607	4.684	6	108.0159	4.938	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	3:4:2:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]N[6]2)(H)	C[6](N[6]B[6,6]H)(C[6]C[6]2H)(N[6]C[6,6])	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]N[6]2)(H){1|B<4>,1|C<3>,1|C<4>,5|H<1>}	C[6](N[6]B[6,6]H)(C[6]C[6]2H)(N[6]C[6,6]){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]3)	107.1265	0.422	2	107.1265	0.178	2	107.1265	0.178	2	107.1265	0.178	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]O[6]O)	H(C[6]C[6]3)	C[6](C[6]C[6,6]HH)2(C[6]C[6]2)(H){2|H<1>,3|O<2>,4|C<4>}	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]O[6]O){1|B<4>,4|C<4>,5|H<1>}	H(C[6]C[6]3)	106.7230	0.000	1	106.7230	0.000	1	106.5396	2.610	10	106.5396	2.610	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]Cl)	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]Cl){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	109.0100	1.956	2	109.0100	3.825	2	106.5396	2.610	10	106.5396	2.610	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N)	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	106.4303	0.130	4	106.4303	0.017	4	106.5396	2.610	10	106.5396	2.610	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]O)	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	104.9773	0.053	3	104.9773	0.003	3	106.5396	2.610	10	106.5396	2.610	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	3:4:4:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]3)	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5]C[6]2)	108.1095	0.177	2	108.1095	0.032	2	108.1095	0.032	2	108.2450	0.097	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:O[6]-2:O-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[5]C[5]2H)(C[6]O[6]O)(H)	C[6](C[6]C[5]C[6]H)(O[6]C[6,6a])(O)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6,6a]CH)(C[5]C[5]2H)(C[6]O[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(O[6]C[6,6a])(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5]C[6]2)	108.2992	0.353	5	108.2992	0.125	5	108.2992	0.125	5	108.2450	0.097	7	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3]C[3]2H)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]C[3]H)(C[6]C[5,6]C)(H)	H(C[6]C[5,5,6]C[3]C[6])	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[3]C[3]2H)(C[6]C[6]H)(H){3|C<3>,3|H<1>,6|C<4>}	C[6](C[6]C[5,5,6]C[3]H)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,5,6]C[3]C[6])	106.8880	0.000	1	106.8880	0.000	1	106.8880	0.000	1	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]Ca)(C[6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6,6]H)(H)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6,6]C[5]Ca)(C[6]C[5,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6,6]H)(H){1|Ca<12>,1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]2)	107.7278	0.161	4	107.7278	0.026	4	107.2510	1.156	5	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5,6]C[6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]2)	105.3440	0.000	1	105.3440	0.000	1	107.2510	1.156	5	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|B<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	106.8340	0.000	1	106.8340	0.000	1	107.7960	0.482	4	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[5]C[6]2)	107.8490	0.000	1	107.8490	0.000	1	107.7960	0.482	4	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]H)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]O[6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5]C[6]2)	108.4800	0.000	1	108.4800	0.000	1	107.7960	0.482	4	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5]C[6a]C[5]O[5])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[5]C[6]2)	C[6](C[5]C[6a]C[5]O[5])(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	108.0210	0.000	1	108.0210	0.000	1	107.7960	0.482	4	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(O)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5]C[6]2)	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[3]H)(C[6]O[6]C)(H)	H(C[6]C[6,6]C[3]C[6])	C[6](C[6,6]C[6]3)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,7|H<1>}	C[6](C[6]C[6,6]C[3]H)(C[6]O[6]C)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[3]C[6])	106.8050	0.054	2	106.8050	0.003	2	106.8050	0.003	2	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]FeH)(CC[6a]2Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	H(C[6]C[6]2C)	C[6](C[6]C[6]FeH)(CC[6a]2Si)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|Fe<7>,1|C<4>,2|H<1>}	H(C[6]C[6]2C)	105.1500	0.000	1	105.1500	0.000	1	105.1500	0.000	1	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[3]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[5,6]H)(H)	H(C[6]C[3]C[6]2)	C[6](C[6]C[5,6]CC)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[5,6]H)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[3]C[6]2)	107.5780	0.000	1	107.5780	0.000	1	107.5473	0.263	3	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[3]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[5,6]H)(H)	H(C[6]C[3]C[6]2)	C[6](C[6]C[5,6]CH)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[5,6]H)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[3]C[6]2)	107.5320	0.724	2	107.5320	0.524	2	107.5473	0.263	3	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]O[6]C)(H)	H(C[6]C[6]3)	C[6](C[6]C[5,6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6]C[6]2H)(C[6]O[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]3)	109.2190	0.000	1	109.2190	0.000	1	107.8953	1.956	3	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]2C)(C[6]C[6]BrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]2C)(C[6]C[6]BrH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){2|Br<1>,1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]3)	108.0350	0.000	1	108.0350	0.000	1	107.8953	1.956	3	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(H)	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	106.4320	0.000	1	106.4320	0.000	1	107.8953	1.956	3	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]3)	105.9820	0.000	1	105.9820	0.000	1	106.3225	0.093	13	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]3)	106.4130	0.000	1	106.4870	0.011	2	106.3225	0.093	13	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]3)	106.5610	0.000	1	106.4870	0.011	2	106.3225	0.093	13	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]I)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|I<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]I)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]3)	106.0600	0.304	4	106.0600	0.093	4	106.3225	0.093	13	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	106.8320	0.000	1	106.4993	0.040	6	106.3225	0.093	13	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]3)	106.5480	0.000	1	106.4993	0.040	6	106.3225	0.093	13	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]3)	106.4040	0.129	4	106.4993	0.040	6	106.3225	0.093	13	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	106.4330	0.000	1	106.4330	0.000	1	106.4330	0.000	1	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[6]-4:P-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(PC[6a]2Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]C)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)(PC[6a]2Pd)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]HP)(C[6]C[6]C)(H){1|Pd<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2P)	111.4970	0.000	1	111.4970	0.000	1	111.4970	0.000	1	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:1:	4:	Si-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](SiC[6a]2C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(O)	H(C[6]C[6]2Si)	C[6](SiC[6a]2C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	H(C[6]C[6]2Si)	102.5520	0.000	1	102.5520	0.000	1	102.5520	0.000	1	106.9272	1.928	36	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O[6]-2:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6]C[6]O[6])(H)	C[6](C[6]C[6]2H)(C[6]C[6]2)(O[6]B[6])	H(C[6]C[6]3)	C[6](C[6]C[6,6]HH)2(C[6]C[6]O[6])(H){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]2)(O[6]B[6]){2|F<1>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]3)	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:N[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6,6a]O)(C[6]O[6]O)	H(C[6]C[5,6]C[6]N[6])	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]N[6]H)(C[6]C[6,6a]O)(C[6]O[6]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]N[6])	109.0030	0.000	1	109.0030	0.000	1	109.0030	0.000	1	107.2237	1.088	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	107.8510	0.259	2	107.8510	0.067	2	107.3885	0.343	4	107.2237	1.088	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[5]C[6]2)	106.9260	0.325	2	106.9260	0.106	2	107.3885	0.343	4	107.2237	1.088	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]C)(H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]3)	106.9070	0.000	1	106.9070	0.000	1	106.9070	0.000	1	107.2237	1.088	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)2	H(C[6]C[6]3)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]O)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]3)	105.4690	0.000	1	105.4690	0.000	1	105.4690	0.000	1	107.2237	1.088	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:Si-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(SiC[6a]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]O)(CCH)	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)(SiC[6a]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]SiH)(C[6]C[6]O)(CCH){1|C<4>,4|H<1>}	H(C[6]C[6]2Si)	106.8570	0.000	1	106.8570	0.000	1	106.8570	0.000	1	107.2237	1.088	8	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:4:	4:	P[6]-4:P-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6]C[6]RuO)(PC[6a]2Ru)(C[6]C[6]C)(H)	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3)	H(C[6]C[6]P[6]P)	C[6](P[6]C[6]RuO)(PC[6a]2Ru)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3){1|Ru<9>,1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]P[6]P)	111.6035	2.525	2	109.9497	7.407	4	109.9497	7.407	4	109.9497	7.407	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:3:4:	4:	P[6]-4:P-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6]C[6]RuO)(PC[6a]2Ru)(C[6]C[6]C)(H)	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3)	H(C[6]C[6]P[6]P)	C[6](P[6]C[6]RuO)(PC[6a]2Ru)(C[6]C[6]C)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3){1|Ru<8>,1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]P[6]P)	108.2960	2.215	2	109.9497	7.407	4	109.9497	7.407	4	109.9497	7.407	4	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.4100	0.000	1	108.4100	0.000	1	106.4967	6.739	4	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	108.3530	0.000	1	108.3530	0.000	1	106.4967	6.739	4	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]2C)	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(O){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	106.3450	0.000	1	106.3450	0.000	1	106.4967	6.739	4	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)2(O)	H(C[6]C[6]2C)	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(O){2|C<4>,3|H<1>}	H(C[6]C[6]2C)	102.8790	0.000	1	102.8790	0.000	1	106.4967	6.739	4	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[6]C[5]C[6]2)	107.3960	0.000	1	107.3960	0.000	1	106.4536	0.488	8	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5]C[6]2)	106.1880	0.000	1	106.1880	0.000	1	106.4536	0.488	8	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	105.5615	0.322	2	105.5615	0.104	2	106.4536	0.488	8	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[5]C[6]2)	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	106.5557	0.208	3	106.5557	0.043	3	106.4536	0.488	8	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[5]O[5]2H)(C[6]S[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[5]C[6]2)	C[6](C[5]O[5]2H)(C[6]S[6]HH)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|S<2>,2|O<2>,5|H<1>}	H(C[6]C[5]C[6]2)	107.2550	0.000	1	107.2550	0.000	1	106.4536	0.488	8	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O)	H(C[6]C[5]C[6]2)	C[6](C[6]C[6]SiH)(C[5]C[5]2H)(C[6]C[6]O)(H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(O){1|Si<4>,3|H<1>,4|C<4>}	H(C[6]C[5]C[6]2)	106.7930	0.000	1	106.7930	0.000	1	106.7930	0.000	1	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]3)	107.7660	0.000	1	107.7660	0.000	1	106.7464	0.653	18	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6]S[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]3)	C[6](C[6]C[6,6a]N[6]H)(C[6]S[6]HH)(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|S<2>,5|H<1>}	H(C[6]C[6]3)	108.1770	0.000	1	108.1770	0.000	1	106.7464	0.653	18	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]3)	106.6270	0.000	1	106.6270	0.000	1	106.7464	0.653	18	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	105.9190	0.170	5	106.2999	0.582	8	106.7464	0.653	18	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	105.7760	0.000	1	106.2999	0.582	8	106.7464	0.653	18	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]3)	107.5140	0.092	2	106.2999	0.582	8	106.7464	0.653	18	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2H)(C[6]O[6]CC)(C[6]C[6]O)(H){4|H<1>,5|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6]3)	108.0640	0.000	1	108.0640	0.000	1	106.7464	0.653	18	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H){4|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	107.1550	0.000	1	107.1550	0.000	1	106.7464	0.653	18	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(H){4|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	106.8080	0.110	2	106.8080	0.012	2	106.7464	0.653	18	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]2S)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]2S)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|S<2>,3|C<4>,4|H<1>}	H(C[6]C[6]3)	106.3250	0.035	2	106.3250	0.001	2	106.7464	0.653	18	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]3)	106.9810	0.000	1	106.9810	0.000	1	106.7464	0.653	18	106.6401	1.177	31	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C[6,6]H)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[5,6]C[6,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(H){1|C<3>,3|O<2>,4|H<1>,7|C<4>}	C[6](C[6]C[5,6]C[6,6]H)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]C[6])	105.6160	0.000	1	105.6160	0.000	1	105.6160	0.000	1	106.4571	1.405	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5]C[5,6a]C[6a]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CP[6]C)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[6a]O[5])(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CP[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[5]C[6]2)	104.6220	0.000	1	104.6220	0.000	1	104.9455	0.209	2	106.4571	1.405	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]2)	105.2690	0.000	1	105.2690	0.000	1	104.9455	0.209	2	106.4571	1.405	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(C[6]C[6]2)	H(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(C[6]C[6]2){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[5]C[6]2)	108.2180	0.000	1	108.2180	0.000	1	108.2180	0.000	1	106.4571	1.405	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH)	H(C[6]C[6]2C)	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	H(C[6]C[6]2C)	105.1790	0.000	1	105.1790	0.000	1	105.1790	0.000	1	106.4571	1.405	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCH)	H(C[6]C[6]3)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]3)	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	106.4571	1.405	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]3)	C[6](C[6]C[6]HH)2(C[6]C[6]2)(H){4|C<4>,6|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H){1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6]3)	107.2013	0.127	4	107.2013	0.016	4	107.2013	0.016	4	106.4571	1.405	10	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	5:4:3:1:	4:3:1:	4:	C[3x3,4,3x5,14x6]-5:C[4,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[3x3,4,3x5,14x6]C[4,6]H)(C[6]C[6]H)(H)	H(C[6]C[3x3,4,3x5,14x6]C[4,6]C[6])	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|C<6>,8|H<1>,9|B<6>}	C[6](C[6]C[3x3,4,3x5,14x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	H(C[6]C[3x3,4,3x5,14x6]C[4,6]C[6])	106.9080	0.000	1	106.9080	0.000	1	106.9080	0.000	1	106.9080	0.000	1	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	6:3:1:1:	4:3:1:	4:	C[3x3,3x5,13x6]-6:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]Ru)(C[6]C[6]H)(H)2	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]H)(H)	H(C[6]C[3x3,3x5,13x6]C[6]H)	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]Ru)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>,5|B<6>}	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]H)(H){1|Ru<8>,1|C<6>,2|H<1>,3|B<6>}	H(C[6]C[3x3,3x5,13x6]C[6]H)	108.6357	0.057	6	108.6357	0.003	6	108.6357	0.003	6	108.6357	0.003	6	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	6:4:3:1:	4:3:1:	4:	C[3,3]-6:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,3]C[3,3]C[3x3]C[3]CC)(C[6]C[6]PdC)(C[6]C[6]H)(H)	C[6](C[6]C[3,3]C[6]H)(C[6]C[6]C)(H)	H(C[6]C[3,3]C[6]2)	C[6](C[3,3]C[3,3]C[3x3]C[3]CC)(C[6]C[6]PdC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[3,3]C[6]H)(C[6]C[6]C)(H){1|Pd<5>,1|C<2>,1|C<3>,2|C<1>,2|H<1>,3|C<4>}	H(C[6]C[3,3]C[6]2)	105.7300	0.000	1	105.7300	0.000	1	105.7300	0.000	1	106.3285	0.716	2	108.6687	3.143	22230	108.7428	3.245	28953
466	762	951	0:SP3_SP-NON_SP2	C[6]	C[6]	H	6:4:3:1:	4:3:1:	4:	C[5x3,5x5,20x6]-6:C[4,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5x3,5x5,20x6]C[4,6]H)(C[6]C[6]H)(H)	H(C[6]C[5x3,5x5,20x6]C[4,6]C[6])	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<6>,9|B<6>,9|H<1>}	C[6](C[6]C[5x3,5x5,20x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|C<6>,4|B<6>}	H(C[6]C[5x3,5x5,20x6]C[4,6]C[6])	106.9270	0.000	1	106.9270	0.000	1	106.9270	0.000	1	106.3285	0.716	2	108.6687	3.143	22230	108.7428	3.245	28953