466	474	778	6:SP3_SP3_SPD5	C[6]	C[5,6]	C[3,6]	5:4:1:1:	3:4:2:2:	4:4:2:1:1:	C[3,6]-5:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5]-2:S[5]-2:	C[3,6]-4:C[6]-4:H[3]-2:H-1:H-1:	C[6](C[3,6]C[3,6]H[3]HH)(C[5,6]C[5a,6]S[5]2)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[3,6]HH)(S[5]C[5])2	C[3,6](C[3,6]C[5a,6]H[3]N)(C[6]C[5,6]HH)(H[3]C[3,6])(H)2	C[6](C[3,6]C[3,6]H[3]HH)(C[5,6]C[5a,6]S[5]2)(H)2{1|C<3>,2|C<4>,2|N<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[3,6]HH)(S[5]C[5])2{1|H<2>,2|C<3>,2|C<4>,6|H<1>}	C[3,6](C[3,6]C[5a,6]H[3]N)(C[6]C[5,6]HH)(H[3]C[3,6])(H)2{2|C<3>,2|S<2>}	112.9460	0.000	1	112.9460	0.000	1	112.9460	0.000	1	112.9460	0.000	1	112.9460	0.000	1	112.9460	0.000	1
466	474	790	0:SP3_SP-NON_SP3	C[3x6]	C[5,6,6]	Cl	4:4:2:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-2:Cl-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(N[6,6]C[6,6])(Cl)	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H)	Cl(C[3x6]C[5,6,6]2N[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(N[6,6]C[6,6])(Cl){1|Cl<1>,1|C<4>,4|C<3>,6|H<1>}	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	Cl(C[3x6]C[5,6,6]2N[6,6])	108.8210	0.427	2	108.8210	0.182	2	108.8210	0.182	2	108.8210	0.182	2	109.4115	0.620	4	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[3x6]	C[5,6,6]	Cl	4:4:3:1:	4:4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)2(C[6,6]N[6,6]Cl)(Cl)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	Cl(C[3x6]C[5,6,6]2C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)2(C[6,6]N[6,6]Cl)(Cl){2|H<1>,3|C<4>,4|C<3>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|Cl<1>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	Cl(C[3x6]C[5,6,6]2C[6,6])	110.0020	0.533	2	110.0020	0.284	2	110.0020	0.284	2	110.0020	0.284	2	109.4115	0.620	4	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6,6]	C[5,6,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:Cl-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:Cl-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]Cl)(C[3x6]C[4x6]C[6,6]Cl)(Cl)(H)	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]ClH)(Cl)	Cl(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]Cl)(C[3x6]C[4x6]C[6,6]Cl)(Cl)(H){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,4x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]ClH)(Cl){1|Cl<1>,1|O<1>,4|C<4>,4|H<1>}	Cl(C[6,6]C[5,6,6]C[3x6]H)	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6,6]	C[5,6]	Cl	3:4:3:1:	4:3:4:1:	4:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:Cl-1:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]H)(Cl)	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	Cl(C[6,6]C[5a,6]C[5,6]N[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]H)(Cl){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	Cl(C[6,6]C[5a,6]C[5,6]N[6,6])	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,5,6,6]	Cl	4:3:1:1:	4:2:4:4:	4:	C[5,5,6,6]-4:C[6]-3:Cl-1:Cl-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]O)(Cl)2	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(C[6]C[6]Cl2)	Cl(C[6]C[5,5,6,6]C[6]Cl)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]O)(Cl)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HH)(C[6]C[6]Cl2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	Cl(C[6]C[5,5,6,6]C[6]Cl)	109.6490	2.268	2	109.6490	5.146	2	109.6490	5.146	2	109.6490	5.146	2	109.6490	5.146	2	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,5,6]	Cl	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C[6,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(Cl)(H)	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]ClH)(C[5]C[5]HH)	Cl(C[6]C[5,5,6]C[6,6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(Cl)(H){2|Cl<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]ClH)(C[5]C[5]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	Cl(C[6]C[5,5,6]C[6,6]H)	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6,6]	Cl	4:4:1:1:	3:3:4:4:	4:	C[5,6,6]-4:C[6]-4:Cl-1:H-1:	C[5,6,6]-3:C[3x6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[3x6]C[5])(C[6]C[6]HH)(Cl)(H)	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH)	Cl(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[3x6]C[5])(C[6]C[6]HH)(Cl)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	Cl(C[6]C[5,6,6]C[6]H)	108.3490	0.000	1	108.3490	0.000	1	108.3490	0.000	1	108.3490	0.000	1	108.3490	0.000	1	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:2:4:1:	4:4:2:3:	4:	C[5,6]-4:O[6]-2:C-4:Cl-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(Cl)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]ClC)(O[5]C[5,6])(COO)	Cl(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(Cl){2|O<2>,4|C<4>}	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]ClC)(O[5]C[5,6])(COO){3|C<4>}	Cl(C[6]C[5,6]O[6]C)	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:3:1:1:	4:3:2:3:	4:	C[5,6]-4:C[6,6a]-3:Cl-1:Cl-1:	C[6]-4:C[5]-3:O[5,6]-2:C[6a]-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(Cl)2	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2)	Cl(C[6]C[6,6a]C[5,6]Cl)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(Cl)2{1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	Cl(C[6]C[6,6a]C[5,6]Cl)	110.0952	1.012	4	110.0952	1.025	4	110.0952	1.025	4	110.0952	1.025	4	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:3:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2: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[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H)	Cl(C[6]C[5,6]C[6]H)	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[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Cl(C[6]C[5,6]C[6]H)	109.7530	0.000	1	109.7530	0.000	1	109.7815	0.002	2	109.7815	0.002	2	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:3:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(Cl)(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6]ClH)(O[5]C[5])(H)	Cl(C[6]C[5,6]C[6]H)	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[5,6](C[5,6]C[5]O[6]C)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	Cl(C[6]C[5,6]C[6]H)	109.8100	0.000	1	109.8100	0.000	1	109.7815	0.002	2	109.7815	0.002	2	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:3:1:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]C)(Cl)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(N[5]C[5])(CH3)	Cl(C[6]C[5,6]C[6]H)	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[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(N[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>}	Cl(C[6]C[5,6]C[6]H)	110.5610	0.000	1	110.5610	0.000	1	110.5610	0.000	1	110.5610	0.000	1	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:3:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(Cl)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(C[5]C[5]C)(H)	Cl(C[6]C[5,6]C[6]H)	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[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	Cl(C[6]C[5,6]C[6]H)	109.6758	0.810	5	109.6758	0.656	5	109.6758	0.656	5	109.6758	0.656	5	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:3:1:1:	4:4:3:2:	4:	C[5,6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]Cl)(Cl)(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC)	Cl(C[6]C[5,6]C[6]H)	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[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	Cl(C[6]C[5,6]C[6]H)	110.6780	0.000	1	110.6780	0.000	1	110.6780	0.000	1	110.6780	0.000	1	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:4:1:1:	3:4:2:2:	4:	C[5,6]-4:C[6]-4:Cl-1:Cl-1:	C[5,6a]-3:C[6]-4:O[5]-2:O[6]-2:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6]HH)(Cl)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]Cl2)(O[5]C[5])(O[6]C[6])	Cl(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6]HH)(Cl)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]Cl2)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	Cl(C[6]C[5,6]C[6]Cl)	109.1250	1.025	2	109.1250	1.051	2	109.1250	1.051	2	109.1367	0.526	3	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:4:1:1:	3:4:2:2:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6]-4:	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(O[5]C[5])2	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	Cl(C[6]C[5,6]C[6]H)	109.1600	0.000	1	109.1600	0.000	1	109.1600	0.000	1	109.1367	0.526	3	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:4:1:1:	3:4:4:2:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Cl)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5])	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Cl)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	Cl(C[6]C[5,6]C[6]H)	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(CH3)	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(CH3){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	Cl(C[6]C[5,6]C[6]H)	110.3120	0.000	1	110.3120	0.000	1	110.3120	0.000	1	110.3120	0.000	1	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H)	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	Cl(C[6]C[5,6]C[6]H)	108.4820	0.000	1	108.4820	0.000	1	108.4820	0.000	1	108.4820	0.000	1	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]ClH)(O[5]C[5])(H)	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]ClH)(O[5]C[5])(H){1|O<1>,2|C<4>,5|H<1>}	Cl(C[6]C[5,6]C[6]H)	106.4750	0.106	2	106.4750	0.011	2	106.4750	0.011	2	106.4750	0.011	2	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]ClH)(C[5]O[5]O)(H)	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]ClH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	Cl(C[6]C[5,6]C[6]H)	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H)	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	Cl(C[6]C[5,6]C[6]H)	108.0800	0.000	1	108.0800	0.000	1	108.0800	0.000	1	107.2485	1.126	4	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H)	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	Cl(C[6]C[5,6]C[6]H)	106.6880	0.000	1	106.6880	0.000	1	107.4410	1.134	2	107.2485	1.126	4	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H)	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	Cl(C[6]C[5,6]C[6]H)	108.1940	0.000	1	108.1940	0.000	1	107.4410	1.134	2	107.2485	1.126	4	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H)	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H){1|C<4>,2|C<3>,8|H<1>}	Cl(C[6]C[5,6]C[6]H)	106.0320	0.000	1	106.0320	0.000	1	106.0320	0.000	1	107.2485	1.126	4	108.9008	3.138	29	109.2077	3.595	39
466	474	790	0:SP3_SP-NON_SP3	C[6]	C[5,6]	Cl	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:C-4:Cl-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(Cl)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H)	Cl(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(Cl){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	Cl(C[6]C[5,6]C[6]C)	105.1290	0.503	2	105.1290	0.253	2	105.1290	0.253	2	105.1290	0.253	2	108.9008	3.138	29	109.2077	3.595	39
466	474	813	0:SP3_SP2_SP3	C[6]	C[5,6]	N[5a]	3:4:2:1:	4:4:2:1:	3:4:3:	N[5a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,2|N<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.3390	0.000	1	113.3390	0.000	1	113.3390	0.000	1	113.3390	0.000	1	111.2120	3.316	12	111.2120	3.316	12
466	474	813	0:SP3_SP2_SP3	C[6]	C[5,6]	N[5a]	3:4:3:1:	4:4:4:1:	4:3:2:	C[6,6a]-3:C[5,6]-4:N[5a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H)	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,3|C<4>}	111.8210	0.180	2	112.2553	0.582	3	112.2553	0.582	3	112.2553	0.582	3	111.2120	3.316	12	111.2120	3.316	12
466	474	813	0:SP3_SP2_SP3	C[6]	C[5,6]	N[5a]	3:4:3:1:	4:4:4:1:	4:3:2:	C[6,6a]-3:C[5,6]-4:N[5a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H)	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[6]C[6,6a]N[5a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	113.1240	0.000	1	112.2553	0.582	3	112.2553	0.582	3	112.2553	0.582	3	111.2120	3.316	12	111.2120	3.316	12
466	474	813	0:SP3_SP2_SP3	C[6]	C[5,6]	N[5a]	4:3:2:1:	3:4:2:1:	3:4:3:	C[5,6]-4:N[5a]-3:O[6]-2:H-1:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[5,6]N[5,5,6]O[5]H)(N[5a]C[5a,6a]C[5a])(O[6]C[6])(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H)	C[6](C[5,6]N[5,5,6]O[5]H)(N[5a]C[5a,6a]C[5a])(O[6]C[6])(H){1|C<3>,2|H<1>,2|N<2>,4|C<4>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	111.6840	1.410	2	111.6840	1.988	2	111.6840	1.988	2	111.6840	1.988	2	111.2120	3.316	12	111.2120	3.316	12
466	474	813	0:SP3_SP2_SP3	C[6]	C[5,6]	N[5a]	4:3:4:1:	4:2:4:1:	4:2:2:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:N[5a]-2:N[5a]-2:	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H)	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	N[5a](C[6]C[5,6]C[6]H)(N[5a]C[5a])2	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|N<2>,3|H<1>}	N[5a](C[6]C[5,6]C[6]H)(N[5a]C[5a])2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	109.4530	0.624	3	109.4530	0.389	3	109.4530	0.389	3	109.4530	0.389	3	111.2120	3.316	12	111.2120	3.316	12
466	474	813	0:SP3_SP2_SP3	C[6]	C[5,6]	N[5a]	4:3:4:1:	4:2:4:1:	4:3:2:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.7770	0.000	1	110.2225	11.961	2	110.2225	11.961	2	110.2225	11.961	2	111.2120	3.316	12	111.2120	3.316	12
466	474	813	0:SP3_SP2_SP3	C[6]	C[5,6]	N[5a]	4:3:4:1:	4:2:4:1:	4:3:2:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>,3|O<2>}	C[5,6](C[6]N[5a]C[6]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.6680	0.000	1	110.2225	11.961	2	110.2225	11.961	2	110.2225	11.961	2	111.2120	3.316	12	111.2120	3.316	12
466	474	813	0:SP3_SP2_SP3	C[6]	C[5,6]	N[5a]	4:4:3:1:	4:4:2:1:	4:3:3:	C[5,6]-4:C[6]-4:N[5a]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H)	N[5a](C[6]C[5,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[3,6]O[5]H)(C[6]N[5a]C[6]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5a](C[6]C[5,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	112.2670	0.000	1	112.2670	0.000	1	112.2670	0.000	1	112.2670	0.000	1	111.2120	3.316	12	111.2120	3.316	12
466	474	813	6:SP3_SP2_SP3	C[6]	C[5,6]	N[5a,6]	3:4:1:1:	3:4:4:1:	3:4:2:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,2|N<2>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){1|N<2>,2|C<3>,5|H<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.4690	0.000	1	106.4690	0.000	1	106.4690	0.000	1	106.4690	0.000	1	107.9513	3.877	9	107.9513	3.877	9
466	474	813	6:SP3_SP2_SP3	C[6]	C[5,6]	N[5a,6]	3:4:1:1:	4:4:2:2:	3:4:3:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:O[6]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]O[5]O[6])(H)2	C[5,6](C[6]N[5a,6]HH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]O[5]O[6])(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6]N[5a,6]HH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C){1|C<4>,2|O<2>,4|H<1>}	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	107.9513	3.877	9	107.9513	3.877	9
466	474	813	6:SP3_SP2_SP3	C[6]	C[5,6]	N[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[5,6]HH){2|C<3>,2|C<4>,5|H<1>}	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	107.9513	3.877	9	107.9513	3.877	9
466	474	813	6:SP3_SP2_SP3	C[6]	C[5,6]	N[5a,6]	3:4:2:1:	3:4:4:3:	3:4:3:	N[5a,6]-3:C[5,6]-4:N-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:N-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]N)(NS)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HN)(C[5]C[5]HH)(NHS)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HN)(C[5a]C[5a]Br)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]N)(NS)(H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HN)(C[5]C[5]HH)(NHS){1|O<1>,2|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HN)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	106.1210	0.000	1	106.1210	0.000	1	106.1210	0.000	1	106.1210	0.000	1	107.9513	3.877	9	107.9513	3.877	9
466	474	813	6:SP3_SP2_SP3	C[6]	C[5,6]	N[5a,6]	3:4:3:1:	4:4:4:1:	3:4:3:	N[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|C<3>,2|C<4>,4|H<1>}	106.6040	0.362	2	106.6040	0.131	2	106.6040	0.131	2	106.6040	0.131	2	107.9513	3.877	9	107.9513	3.877	9
466	474	813	6:SP3_SP2_SP3	C[6]	C[5,6]	N[5a,6]	3:4:4:1:	4:4:2:1:	3:4:3:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|O<2>,3|C<4>,3|H<1>}	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	107.9513	3.877	9	107.9513	3.877	9
466	474	813	6:SP3_SP2_SP3	C[6]	C[5,6]	N[5a,6]	3:4:4:1:	4:4:2:3:	3:4:3:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]N[5a]H)(C[6]N[5a,6]CH)(O[5]C[5])(CCO){1|H<1>,1|O<2>,5|C<3>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.3690	0.000	1	109.3690	0.000	1	109.3690	0.000	1	109.3690	0.000	1	107.9513	3.877	9	107.9513	3.877	9
466	474	813	6:SP3_SP2_SP3	C[6]	C[5,6]	N[5a,6]	3:4:4:1:	4:4:3:1:	3:4:2:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	106.1560	0.000	1	106.1560	0.000	1	106.1560	0.000	1	106.1560	0.000	1	107.9513	3.877	9	107.9513	3.877	9
466	474	813	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	N[5a,6,6]	3:4:3:1:	4:4:2:1:	4:3:3:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:Br-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:H-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	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[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]Br)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	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[5,6,6](C[3x6]N[5a,6,6]C[6,6]Br)(C[5,6,6]C[3x6]O[5]C)(O[5]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]Br)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	104.1910	0.000	1	104.1910	0.000	1	104.1910	0.000	1	104.1910	0.000	1	103.0140	2.771	2	103.0140	2.771	2
466	474	813	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	N[5a,6,6]	3:4:3:1:	4:4:2:3:	4:3:3:	N[5a,6,6]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-3:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	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[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	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[5,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]H)(O[5]C[5])(COO){1|Br<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	101.8370	0.000	1	101.8370	0.000	1	101.8370	0.000	1	101.8370	0.000	1	103.0140	2.771	2	103.0140	2.771	2
466	474	818	0:SP3_SP2_SP3	C[6,6]	C[5,6]	C[5,6]	4:3:3:1:	4:4:2:1:	4:4:2:	C[5,6]-4:C[5,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H)	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H){2|O<2>,5|C<4>,5|H<1>}	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<4>,5|H<1>}	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	112.2035	2.803	4
466	474	818	0:SP3_SP2_SP3	C[6]	C[5,6]	C[5]	4:3:3:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[6]-4:C[5]-3:C[5]-3:	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[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5]C[6]H)(C[5]C[5]CH)(CH3)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O)	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[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5]C[6]H)(C[5]C[5]CH)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5]C)(C[5]C[5]O){1|O<1>,4|C<4>,4|H<1>}	114.6130	0.000	1	114.6130	0.000	1	114.6130	0.000	1	114.6130	0.000	1	113.0245	5.047	2	112.2035	2.803	4
466	474	818	0:SP3_SP2_SP3	C[6]	C[5,6]	C[5]	4:4:3:1:	3:4:4:1:	4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6]-4:C[5]-4:N[5]-2:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]CC)(N[5]C[5,6a])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H){2|H<1>,4|C<3>,4|C<4>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]CC)(N[5]C[5,6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.4360	0.000	1	111.4360	0.000	1	111.4360	0.000	1	111.4360	0.000	1	113.0245	5.047	2	112.2035	2.803	4
466	474	818	0:SP3_SP2_SP3	C[6]	C[5]	C[5,6]	3:3:4:1:	4:3:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6]-4:C[5]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H)	C[5](C[6]C[6,6a]C[5,6]H)(C[5]C[5,6a]O)2(H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H){1|H<1>,1|O<2>,3|O<1>,6|C<3>}	C[5](C[6]C[6,6a]C[5,6]H)(C[5]C[5,6a]O)2(H){6|C<3>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	112.2035	2.803	4
466	474	818	6:SP3_SP2_SP3	C[3x6]	C[5,6,6]	C[5,3x6]	3:4:4:1:	4:4:3:1:	4:3:4:	C[5,3x6]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,3x6]-3:C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H){2|C<3>,3|C<4>,6|H<1>}	105.5360	1.097	2	105.5360	1.204	2	105.5360	1.204	2	105.5360	1.204	2	105.5360	1.204	2	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	3:4:4:4:	4:4:3:1:	3:3:4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6,6]-3:C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H)	C[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3){1|C<4>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C){2|H<1>,4|C<4>,5|C<3>}	106.5447	1.181	4	106.5447	1.395	4	106.5447	1.395	4	106.5447	1.395	4	106.2662	3.059	6	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:3:4:4:	4:4:3:1:	4:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH){1|C<3>,3|H<1>,7|C<4>}	103.4530	0.000	1	103.4530	0.000	1	105.7090	10.179	2	105.7090	10.179	2	106.2662	3.059	6	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[3x6]	C[5,6,6]	C[5,6,6]	4:3:4:4:	4:4:3:1:	4:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH){1|C<3>,5|C<4>,5|H<1>}	107.9650	0.000	1	107.9650	0.000	1	105.7090	10.179	2	105.7090	10.179	2	106.2662	3.059	6	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6,6]	C[5,6,6]	C[5,6,6]	4:3:4:4:	4:4:4:4:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,7|C<4>,7|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,9|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|O<2>,4|C<4>,7|H<1>}	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6,6]	C[5,6]	C[5,6,6]	3:4:4:1:	4:4:3:1:	3:4:4:	C[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	107.3265	2.904	2	107.3265	8.434	2	107.3265	8.434	2	107.3265	8.434	2	108.4275	2.807	6	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6,6]	C[5,6]	C[5,6,6]	4:3:4:1:	4:4:3:1:	4:4:3:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6]){2|C<3>,2|C<4>,8|H<1>}	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1	108.4275	2.807	6	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6,6]	C[5,6]	C[5,6,6]	4:3:4:1:	4:4:3:3:	4:4:3:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	108.4275	2.807	6	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6,6]	C[5,6]	C[5,6,6]	4:3:4:1:	4:4:4:1:	4:4:3:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,3|C<4>,9|H<1>}	108.6965	0.056	2	108.6965	0.003	2	108.6965	0.003	2	108.6965	0.003	2	108.4275	2.807	6	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,5,6]	C[5,6]	4:3:1:1:	4:4:2:4:	4:4:3:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	107.2040	0.000	1	107.0845	0.029	2	107.0845	0.029	2	107.0845	0.029	2	107.0845	0.029	2	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,5,6]	C[5,6]	4:3:1:1:	4:4:2:4:	4:4:3:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:C[5]-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	106.9650	0.000	1	107.0845	0.029	2	107.0845	0.029	2	107.0845	0.029	2	107.0845	0.029	2	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<2>,2|O<2>,3|H<1>}	107.1340	0.000	1	107.1340	0.000	1	107.1340	0.000	1	107.1340	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	3:4:1:1:	4:4:2:2:	4:4:3:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[6]O[5]2)(H)2	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[6]O[5]2)(H)2{3|H<1>,6|C<4>}	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])2{1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H){1|C<4>,2|O<2>,6|H<1>}	110.6060	0.300	2	110.6060	0.090	2	110.6060	0.090	2	110.6060	0.090	2	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]HH)(C[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,5|H<1>}	107.0190	0.031	2	107.0190	0.001	2	107.0190	0.001	2	107.0190	0.001	2	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	3:4:1:1:	4:4:3:1:	4:4:3:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[4,5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[3,5]C[4,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[5,6](C[4,5,6]C[4,5,6]C[4,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[5,6](C[5,6]C[3,5]C[4,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[4,5,6]C[4,5,6]C[4,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.3095	0.029	2	109.3095	0.001	2	109.3095	0.001	2	108.8110	0.413	4	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	3:4:1:1:	4:4:3:1:	4:4:3:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	108.6610	0.000	1	108.6610	0.000	1	108.6610	0.000	1	108.8110	0.413	4	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	3:4:1:1:	4:4:3:1:	4:4:3:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.9640	0.000	1	107.9640	0.000	1	107.9640	0.000	1	108.8110	0.413	4	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	3:4:2:1:	4:4:3:1:	4:4:3:	C[5,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<3>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	3:4:3:1:	4:4:3:1:	3:4:4:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-3:C[6]-4:C[5]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[5]O[5]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH){3|C<3>,3|C<4>,3|H<1>}	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:1:1:	3:4:4:1:	4:4:3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]H)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HH)(C[5]C[5]H){1|C<4>,1|N<3>,5|H<1>}	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:1:1:	4:4:4:1:	3:4:2:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2{2|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]HH)(O[5]C[5]){3|H<1>,6|C<4>}	106.2990	0.000	1	106.2990	0.000	1	106.2990	0.000	1	106.2990	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:1:1:	4:4:4:1:	4:4:3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5])(H)2	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]CO)(H)	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5])(H)2{1|C<3>,3|O<2>,6|C<4>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[5,6]HH)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]O[5,6]C[5]O[5])(C[6]C[5,6]HH)(C[5]C[5]C){1|O<1>,3|C<4>,3|H<1>}	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:2:1:	4:2:4:4:	4:4:3:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]C)	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H){3|H<1>,5|C<4>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]C){1|O<2>,4|C<4>,4|H<1>}	109.3890	0.000	1	109.3890	0.000	1	109.3890	0.000	1	109.3890	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:2:1:	4:4:3:1:	4:4:3:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){2|C<3>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:2:1:	4:4:4:1:	3:4:4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]O[5]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]O[5]HH){1|H<1>,1|O<1>,4|C<4>}	110.6800	1.194	2	110.6800	1.425	2	110.6800	1.425	2	110.6800	1.425	2	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:3:1:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[6]-4:C[5,6]-3:C[5]-3:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,8|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,7|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	110.8450	0.000	1	110.8450	0.000	1	110.8450	0.000	1	110.8450	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C[6]-4:P[5,6]-3:C[5]-3:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6]C[5,6]C[6a]H)(P[5,6]P[5,6]C[5])(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|P<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3){1|P<3>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(P[5,6]P[5,6]C[5])(C[5]C[5]C){3|C<4>,5|C<3>}	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:3:1:	4:4:4:1:	3:4:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,5|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	106.9920	0.000	1	106.9920	0.000	1	106.9920	0.000	1	106.9920	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:3:1:	4:4:4:1:	4:3:4:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,7|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	107.3440	0.000	1	107.3440	0.000	1	107.3440	0.000	1	107.3440	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:4:1:	4:4:2:1:	3:4:3:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	104.5420	0.000	1	104.5420	0.000	1	104.5420	0.000	1	104.5420	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:4:1:	4:4:2:1:	3:4:4:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH){1|O<2>,2|C<4>,4|H<1>}	104.5120	0.000	1	104.5120	0.000	1	104.5120	0.000	1	104.5120	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:4:4:	3:4:3:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CH3)2	C[5,6](C[5,6]C[5,6]C)(C[6]C[5,6]CC)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]2H)(C[6]C[5,6]CC)(C[5]C[5,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CH3)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C)(C[6]C[5,6]CC)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]2H)(C[6]C[5,6]CC)(C[5]C[5,6]H){1|B<4>,1|P<4>,3|C<3>,4|H<1>}	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:4:4:	3:4:3:3:	3:4:4:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-3:C[6]-4:N[5]-3:C-3:	C[5,6]-3:C[6]-4:C[5]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[5,6]C[5,6]C[5])(CH3)2	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO)	C[6](C[5,6]C[5,6]N[5]C)(C[5,6]C[5,6]C[5])(CH3)2{1|C<4>,3|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH){2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	104.2020	0.000	1	104.2020	0.000	1	104.2020	0.000	1	104.2020	0.000	1	108.2416	3.920	28	107.8022	3.872	45
466	474	818	6:SP3_SP2_SP3	C[6]	C[5,6]	C[5,6]	4:3:4:4:	4:4:4:1:	3:4:3:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	109.2755	0.614	2	109.2755	0.378	2	109.2755	0.378	2	109.2755	0.378	2	108.2416	3.920	28	107.8022	3.872	45
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,3x6]	F	4:4:1:1:	3:3:4:4:	4:	C[5,3x6]-4:C[6]-4:F-1:F-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6]FF)(F)2	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF)	F(C[6]C[5,3x6]C[6]F)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6]FF)(F)2{1|C<4>,2|F<1>,6|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF){1|C<4>,4|F<1>,8|C<3>}	F(C[6]C[5,3x6]C[6]F)	110.0410	0.793	4	110.0410	0.629	4	110.0410	0.629	4	110.0410	0.629	4	110.0410	0.629	4	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:F-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H)	F(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]FH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	F(C[6]C[6,6a]C[5,6]H)	108.6510	0.000	1	108.6510	0.000	1	108.6510	0.000	1	108.6510	0.000	1	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:2:1:1:	4:2:4:1:	4:	C[5,6]-4:O[6]-2:F-1:H-1:	C[3,5]-4:O[5,6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(F)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]FH)(H)	F(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(F)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]FH)(H){1|C<4>,2|H<1>}	F(C[6]C[5,6]O[6]H)	108.1592	1.777	5	108.1592	3.157	5	108.1592	3.157	5	108.1592	3.157	5	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[6]-2:F-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	F(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){1|C<3>,2|H<1>,7|C<4>}	F(C[6]C[5,6]O[6]H)	110.6510	0.000	1	110.8280	0.063	2	110.8280	0.063	2	110.8280	0.063	2	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O[6]-2:F-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H)	F(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]H)(C[6]O[6]FH)(H){2|C<3>,2|H<1>,6|C<4>}	F(C[6]C[5,6]O[6]H)	111.0050	0.000	1	110.8280	0.063	2	110.8280	0.063	2	110.8280	0.063	2	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:3:1:1:	3:4:4:1:	4:	C[5,6]-4:C[6]-3:F-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(F)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]FH)(H)	F(C[6]C[5,6]C[6]H)	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[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<1>,3|H<1>}	F(C[6]C[5,6]C[6]H)	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-3:F-1:F-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(F)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H)	F(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(F)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|O<1>,2|C<3>,2|H<1>}	F(C[6]C[5,6]C[6]F)	111.0600	0.887	2	111.0600	0.786	2	111.0600	0.786	2	111.0600	0.786	2	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:3:1:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-3:F-1:F-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	F(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2{2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	F(C[6]C[5,6]C[6]F)	109.4160	0.393	2	109.3222	0.191	4	109.3222	0.191	4	109.3222	0.191	4	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:3:1:1:	4:4:4:2:	4:	C[5,6]-4:C[6]-3:F-1:F-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	F(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(F)2{2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	F(C[6]C[5,6]C[6]F)	109.2285	0.619	2	109.3222	0.191	4	109.3222	0.191	4	109.3222	0.191	4	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	2:4:2:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	F(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H){1|F<1>,1|H<1>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	F(C[6]C[5,6]C[6]H)	107.3980	0.226	2	107.3980	0.051	2	106.6574	0.184	10	106.6574	0.184	10	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	2:4:2:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H)	F(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H){1|F<1>,1|H<1>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]FH)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	F(C[6]C[5,6]C[6]H)	106.4723	0.184	8	106.4723	0.034	8	106.6574	0.184	10	106.6574	0.184	10	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	F(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|F<1>,2|H<1>}	F(C[6]C[5,6]C[6]H)	108.2665	0.190	2	109.1535	1.064	4	108.0381	1.012	12	108.0381	1.012	12	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	F(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|F<1>,2|H<1>}	F(C[6]C[5,6]C[6]H)	110.0405	0.087	2	109.1535	1.064	4	108.0381	1.012	12	108.0381	1.012	12	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	2:4:4:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H)	F(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<2>,2|H<1>}	F(C[6]C[5,6]C[6]H)	107.4804	0.260	8	107.4804	0.067	8	108.0381	1.012	12	108.0381	1.012	12	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(F)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O)	F(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(F)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	F(C[6]C[5,6]C[6]H)	109.2063	0.642	3	109.2063	0.412	3	109.2063	0.412	3	109.2063	0.412	3	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	4:2:4:1:	4:	C[3,6]-4:C[5,6]-4:F-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[5,6]O[5,6]C[5]H)(F)(H)	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	F(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[5,6]O[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|H<1>}	F(C[6]C[3,6]C[5,6]H)	107.6757	1.049	4	107.6757	1.100	4	107.8258	0.727	6	108.1857	1.513	7	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	4:2:4:1:	4:	C[3,6]-4:C[5,6]-4:F-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(F)(H)	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	F(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[6]C[3,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	F(C[6]C[3,6]C[5,6]H)	108.1260	0.259	2	108.1260	0.067	2	107.8258	0.727	6	108.1857	1.513	7	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	4:2:4:1:	4:	C[5,6]-4:C[5,6]-4:F-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H)	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	F(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[6]C[5,6]FH)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	F(C[6]C[5,6]2H)	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	108.1857	1.513	7	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5,6]-4:F-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H)	F(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(F)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	F(C[6]C[5,6]2H)	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	109.5793	1.957	3	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6,6]-4:F-1:F-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]O[6,6]C[6]O)(F)2	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H)	F(C[6]C[5,6]C[6,6]F)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]O[6,6]C[6]O)(F)2{2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6,6]FF)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	F(C[6]C[5,6]C[6,6]F)	109.9300	1.782	2	109.9300	3.175	2	109.9300	3.175	2	109.5793	1.957	3	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	4:4:2:2:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(F)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]FH)(O[5]C[5,5])(O[6]C[6])	F(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(F)(H){2|H<1>,5|C<4>}	C[5,6](C[5]C[5,5]CH)(C[6]C[6]FH)(O[5]C[5,5])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	F(C[6]C[5,6]C[6]H)	107.3100	0.000	1	107.3100	0.000	1	107.3100	0.000	1	107.3100	0.000	1	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	4:4:2:3:	4:	C[5,6]-4:C[6]-4:F-1:F-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO)	F(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	F(C[6]C[5,6]C[6]F)	108.2525	1.684	4	108.2722	1.877	6	108.2722	1.877	6	108.2722	1.877	6	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	4:4:2:3:	4:	C[5,6]-4:C[6]-4:F-1:F-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO)	F(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]FF)(O[5]C[5])(COO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	F(C[6]C[5,6]C[6]F)	108.3115	0.936	2	108.2722	1.877	6	108.2722	1.877	6	108.2722	1.877	6	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5,6]	F	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:F-1:F-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H)	F(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|N<2>,1|N<3>,1|O<1>,2|F<1>}	F(C[6]C[5,6]C[6]F)	110.6505	0.315	2	110.6505	0.099	2	110.6505	0.099	2	110.6505	0.099	2	108.3730	2.235	59	108.4578	2.281	64
466	474	830	0:SP3_SP-NON_SP3	C[6]	C[5]	F	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[6]-3:C[6]-4:F-1:	C[5,6a]-3:C[6]-4:O[5]-2:H-1:	C[6]-4:	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2F)(O[5]C[5])(H)	F(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(F){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2F)(O[5]C[5])(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	F(C[6]C[5]C[6]2)	107.1300	0.000	1	107.1300	0.000	1	107.1300	0.000	1	107.1300	0.000	1	107.1300	0.000	1	108.4578	2.281	64
466	474	846	6:SP3_SP2_SP3	C[6]	C[5,6]	C[4,6]	4:3:1:1:	3:3:4:4:	4:4:3:	C[5,6]-4:C[4,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[4,6]-4:C[6]-4:C[4]-3:	C[6](C[5,6]C[5,6a]2C[6])(C[4,6]C[4,6]C[4])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[4,6]HH)(C[6]C[6]HH)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[5,6]HH)(C[4]C[4]C)	C[6](C[5,6]C[5,6a]2C[6])(C[4,6]C[4,6]C[4])(H)2{2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[4,6]HH)(C[6]C[6]HH){1|C<4>,3|H<1>,6|C<3>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[5,6]HH)(C[4]C[4]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1
466	474	854	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	N[6,6]	4:4:3:4:	4:4:3:4:	4:4:4:1:	C[5,6,6]-4:N[6,6]-4:N[6,6]-3:C-4:	N[5,6]-4:C[3x6]-4:N[5,6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3)	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H)	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3){5|C<4>,9|H<1>}	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3){5|C<4>,8|H<1>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	110.6647	8.654	17
466	474	854	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	N[6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){2|C<3>,3|C<4>,7|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,5|H<1>}	102.1150	0.000	1	102.1150	0.000	1	105.6070	24.388	2	105.6070	24.388	2	109.1685	25.270	4	110.6647	8.654	17
466	474	854	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	N[6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,7|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	109.0990	0.000	1	109.0990	0.000	1	105.6070	24.388	2	105.6070	24.388	2	109.1685	25.270	4	110.6647	8.654	17
466	474	854	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	N[6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|O<1>,3|C<4>,9|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){4|C<4>,4|H<1>}	112.7300	0.827	2	112.7300	0.684	2	112.7300	0.684	2	112.7300	0.684	2	109.1685	25.270	4	110.6647	8.654	17
466	474	854	6:SP3_SP3_SP3	C[6,6]	C[5,6]	N[6,6]	3:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6a]-3:C[5,6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,9|H<1>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	110.6647	8.654	17
466	474	854	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6,6]	4:4:1:1:	4:4:2:4:	4:4:4:1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6]O)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){2|C<4>,2|O<1>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	114.0925	0.252	2	114.0925	0.064	2	114.0925	0.064	2	114.0925	0.064	2	112.4633	5.074	6	110.6647	8.654	17
466	474	854	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	111.4920	0.000	1	111.4920	0.000	1	111.4920	0.000	1	111.4920	0.000	1	112.4633	5.074	6	110.6647	8.654	17
466	474	854	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6,6]	4:4:1:1:	4:4:4:2:	4:4:4:1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:S[5]-2:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5])	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,6|H<1>}	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[6]C[6]HH)(S[5]C[5]){4|C<4>,5|H<1>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|S<2>,2|C<3>,4|C<4>,5|H<1>}	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1	112.4633	5.074	6	110.6647	8.654	17
466	474	854	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6,6]	4:4:1:1:	4:4:4:3:	4:4:4:1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH){2|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,6|H<1>}	109.2930	0.000	1	109.2930	0.000	1	109.2930	0.000	1	109.2930	0.000	1	112.4633	5.074	6	110.6647	8.654	17
466	474	854	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6,6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	N[6,6]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-4:C[6]-4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|C<3>,1|S<2>,4|C<4>,8|H<1>}	C[5,6](C[5]C[5,6]HH)(C[6]N[6,6]HH)(C[5]S[5]HH)(C[6]C[6]HH){3|H<1>,4|C<4>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	114.9800	0.000	1	114.9800	0.000	1	114.9800	0.000	1	114.9800	0.000	1	112.4633	5.074	6	110.6647	8.654	17
466	474	854	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[5,6]-4:N[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)2(CH3)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H){2|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	110.6700	0.093	2	110.6700	0.009	2	110.6700	0.009	2	110.6700	0.009	2	110.5250	0.085	5	110.6647	8.654	17
466	474	854	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:4:1:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:N[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]HH)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5])	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]HH)(H)2{3|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(O[5]C[5]){2|C<4>,7|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	110.6025	0.278	2	110.6025	0.077	2	110.6025	0.077	2	110.6025	0.077	2	110.5250	0.085	5	110.6647	8.654	17
466	474	854	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:4:3:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:N[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H)	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	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[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	110.0800	0.000	1	110.0800	0.000	1	110.0800	0.000	1	110.0800	0.000	1	110.5250	0.085	5	110.6647	8.654	17
466	474	856	0:SP3_SP2_SP3	C[3x6]	C[5,6]	N[6]	4:4:4:3:	4:4:2:1:	4:3:1:	C[3x6]-4:C[5,6]-4:C[6]-4:N[6]-3:	C[3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[3x6]-4:C[6]-3:H-1:	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H)	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	N[6](C[3x6]C[3x6]C[5,6]C[6])(C[6]O[6]O)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H){2|C<4>,2|O<1>,3|O<2>,4|H<1>}	C[5,6](C[3x6]C[3x6]C[6]N[6])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	N[6](C[3x6]C[3x6]C[5,6]C[6])(C[6]O[6]O)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:3:2:	4:3:1:	C[5,5,6]-4:C[6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6,6]C[6,6]HH)(N[6]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5])	N[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6,6]C[6,6]HH)(N[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5]){1|Cl<1>,1|C<4>,3|C<3>,8|H<1>}	N[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H){2|Cl<1>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6,6]	C[5,6]	N[6]	4:4:3:1:	4:4:2:1:	4:3:1:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	110.8460	5.726	2	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6,6]	C[5,6]	N[6]	4:4:3:1:	4:4:2:1:	4:3:4:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]N[6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	112.5380	0.000	1	112.5380	0.000	1	112.5380	0.000	1	112.5380	0.000	1	110.8460	5.726	2	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6]	C[5]	N[6]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:N[6]-3:C[5]-4:H-1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H)	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(N[5]C[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2){1|C<4>,2|N<3>,3|H<1>,5|C<3>}	112.3430	0.000	1	112.3430	0.000	1	112.3430	0.000	1	112.3430	0.000	1	111.7438	3.644	16	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6]	C[5]	N[6]	3:4:3:1:	3:4:3:2:	4:3:4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH){1|H<1>,2|C<4>,5|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	111.7438	3.644	16	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6]	C[5]	N[6]	3:4:3:1:	4:3:2:1:	3:4:3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H){2|H<1>,6|C<3>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5]H)(CCO){1|O<2>,2|H<1>,5|C<3>}	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	111.7438	3.644	16	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6]	C[5]	N[6]	3:4:3:1:	4:3:2:1:	4:2:3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6]-4:N[6]-2:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H)	N[6](C[6]C[6,6a]C[5]H)(N[6]C[6])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H){2|H<1>,5|C<3>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]C[5]H)(N[6]C[6])(CCO){1|O<2>,2|H<1>,3|C<3>}	111.8200	0.000	1	111.8200	0.000	1	111.8200	0.000	1	111.8200	0.000	1	111.7438	3.644	16	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6]	C[5]	N[6]	3:4:3:1:	4:3:2:4:	4:3:3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[5]-3:N[5]-2:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]O[5]O)(N[5]C[5])(CH3)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[6]C[6,6a]N[6]H)(C[5]O[5]O)(N[5]C[5])(CH3){5|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	111.1393	1.342	3	111.1393	1.802	3	111.1393	1.802	3	111.1393	1.802	3	111.7438	3.644	16	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6]	C[5]	N[6]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[5]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	108.8830	0.000	1	108.8830	0.000	1	108.2730	0.744	2	108.2730	0.744	2	111.7438	3.644	16	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6]	C[5]	N[6]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[5]-3:N[5]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	107.6630	0.000	1	107.6630	0.000	1	108.2730	0.744	2	108.2730	0.744	2	111.7438	3.644	16	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6]	C[5]	N[6]	3:4:3:1:	4:3:4:2:	4:3:4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[5]-3:C-4:O[5]-2:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	C[5](C[6]C[6,6a]N[6]H)(C[5]N[5]O)(CC[6a]HH)(O[5]C[5])	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[6]C[6,6a]N[6]H)(C[5]N[5]O)(CC[6a]HH)(O[5]C[5]){1|C<4>,4|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.7438	3.644	16	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6]	C[5]	N[6]	3:4:3:1:	4:4:4:1:	4:2:1:	C[6]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[6]-4:N[6]-2:H-1:	C[6](C[6]N[6,6]N)(C[5]C[5]2H)(N[6]N[6]H)(H)	C[5](C[6]C[6]N[6]H)(C[5]C[5]HH)2(H)	N[6](C[6]C[5]C[6]H)(N[6]C[6,6])(H)	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[5](C[6]C[6]N[6]H)(C[5]C[5]HH)2(H){1|N<3>,2|N<2>,5|H<1>}	N[6](C[6]C[5]C[6]H)(N[6]C[6,6])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	114.8230	0.000	1	114.8230	0.000	1	114.8230	0.000	1	114.8230	0.000	1	111.7438	3.644	16	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6]	C[5]	N[6]	4:4:3:1:	3:4:4:2:	4:3:4:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-4:O-2:	C[6]-4:C[6]-3:C-4:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH)	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	114.1680	0.453	2	114.1680	0.205	2	113.8170	0.472	3	113.8170	0.472	3	111.7438	3.644	16	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6]	C[5]	N[6]	4:4:3:1:	3:4:4:2:	4:3:4:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-4:O-2:	C[6]-4:C[6]-3:C-4:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH)	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	113.1150	0.000	1	113.1150	0.000	1	113.8170	0.472	3	113.8170	0.472	3	111.7438	3.644	16	111.3620	4.012	20
466	474	856	0:SP3_SP2_SP3	C[6]	C[5]	N[6]	4:4:3:1:	4:4:2:1:	4:4:3:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H)	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	N[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H){2|C<4>,3|O<2>,4|H<1>}	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	N[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,5|H<1>}	110.9660	0.307	2	110.9660	0.094	2	110.9660	0.094	2	110.9660	0.094	2	111.7438	3.644	16	111.3620	4.012	20
466	474	856	0:SP3_SP3_SP3	C[6]	C[5,5]	N[6]	4:3:2:1:	4:4:2:2:	4:4:1:	C[5,5]-4:N[6]-3:O[6]-2:H-1:	C[5,5]-4:C[6]-4:O[5]-2:O[5]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[6]N[6]O[6]H)(O[5]C[5,6])(O[5]C[5])	N[6](C[6]C[5,5]O[6]H)(C[6]C[6]HH)(H)	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H){1|O<2>,3|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[6]N[6]O[6]H)(O[5]C[5,6])(O[5]C[5]){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	N[6](C[6]C[5,5]O[6]H)(C[6]C[6]HH)(H){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	110.0043	0.598	9
466	474	856	0:SP3_SP3_SP3	C[6]	C[5]	N[6]	3:4:3:1:	3:4:2:1:	4:4:4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(O[5]C[5])(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>}	109.8912	0.788	4	109.8912	0.621	4	109.8912	0.621	4	109.8912	0.621	4	109.9214	0.613	8	110.0043	0.598	9
466	474	856	0:SP3_SP3_SP3	C[6]	C[5]	N[6]	3:4:3:1:	3:4:3:1:	4:4:4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:F-1:	C[6]-4:S[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(F)	N[6](C[6]C[6,6a]C[5]H)(S[6]O[6]OO)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(F){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	N[6](C[6]C[6,6a]C[5]H)(S[6]O[6]OO)(CH3){1|F<1>,4|C<3>}	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	109.9214	0.613	8	110.0043	0.598	9
466	474	856	0:SP3_SP3_SP3	C[6]	C[5]	N[6]	3:4:3:1:	3:4:3:2:	4:3:4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH){1|H<1>,2|C<4>,5|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	111.0610	0.000	1	111.0610	0.000	1	111.0610	0.000	1	111.0610	0.000	1	109.9214	0.613	8	110.0043	0.598	9
466	474	856	0:SP3_SP3_SP3	C[6]	C[5]	N[6]	3:4:3:1:	4:4:2:3:	4:3:4:	C[5a,6]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[5]-4:O[5]-2:C-3:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO)	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO){1|C<4>,1|N<3>,3|C<3>}	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	109.9214	0.613	8	110.0043	0.598	9
466	474	856	0:SP3_SP3_SP3	C[6]	C[5]	N[6]	4:3:3:1:	4:4:2:1:	4:4:2:	C[5]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6]-4:C-4:O[6]-2:	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H)	C[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H)	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[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[5](C[6]C[6]N[6]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,2|O<2>,3|C<4>}	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	109.7350	0.000	1	109.7350	0.000	1	109.7350	0.000	1	109.7350	0.000	1	109.9214	0.613	8	110.0043	0.598	9
466	474	856	6:SP3_SP2_SP3	C[3x6]	C[5,6,6]	N[3x6]	4:3:3:1:	4:3:4:3:	4:4:3:	C[5,6,6]-4:N[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[3x6]-4:C[3x6]-4:C[6]-3:	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[5,6,6](C[3x6]C[6,6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O)	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C)	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[5,6,6](C[3x6]C[6,6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C){2|C<4>,2|H<1>,6|C<3>}	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[3x6]	C[5,6,6]	N[6,6]	4:3:3:1:	4:3:2:3:	4:3:1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[5,6a]-3:S[6,6]-2:C[5]-3:	C[3x6]-4:C[6,6]-3:H-1:	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[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)	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[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	107.8535	14.093	2	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[3x6]	C[5,6,6]	N[6,6]	4:3:3:1:	4:3:4:3:	4:4:3:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[3x6]-4:C[6,6]-4:C-3:	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[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)	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[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	105.1990	0.000	1	105.1990	0.000	1	105.1990	0.000	1	105.1990	0.000	1	107.8535	14.093	2	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[3x6]	C[5,6]	N[3x6]	4:3:4:1:	4:3:4:3:	4:4:3:	C[5,6]-4:N[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H)	C[5,6](C[3x6]C[3x6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C)	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[5,6](C[3x6]C[3x6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){2|H<1>,3|C<4>,5|C<3>}	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C){2|C<4>,2|H<1>,6|C<3>}	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,5,6,6]	N[6,6]	4:3:4:1:	4:4:2:3:	4:4:3:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	109.1070	0.000	1	109.1070	0.000	1	109.4000	0.172	2	109.4000	0.172	2	109.4000	0.172	2	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,5,6,6]	N[6,6]	4:3:4:1:	4:4:2:3:	4:4:3:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:O[5,5]-2:C[5,6]-3:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6]N[6,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	109.6930	0.000	1	109.6930	0.000	1	109.4000	0.172	2	109.4000	0.172	2	109.4000	0.172	2	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,5,6]	N[6,6]	4:3:4:1:	4:4:3:2:	4:4:3:	C[5,5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a])	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a]){2|C<4>,4|H<1>,5|C<3>}	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,6,6]	N[6,6]	4:3:4:1:	4:4:2:2:	4:3:3:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:O-2:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[6,6]N[6,6]C[6]H)(O[5,6]C[5,5,6])(OC)	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O)	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[6,6]N[6,6]C[6]H)(O[5,6]C[5,5,6])(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	113.7810	0.000	1	113.7810	0.000	1	113.7810	0.000	1	113.7810	0.000	1	113.7810	0.000	1	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,6,6]	N[6]	4:3:3:1:	4:4:4:4:	4:3:4:	C[5,6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:C[5]-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H)	C[5,6,6](C[6,6]N[6]2H)2(C[5]C[5]HH)2	N[6](C[6,6]C[5,6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H){2|C<4>,2|N<3>,2|O<2>,5|H<1>}	C[5,6,6](C[6,6]N[6]2H)2(C[5]C[5]HH)2{2|C<3>,4|C<4>,4|H<1>}	N[6](C[6,6]C[5,6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,5|C<4>}	109.6415	0.816	20	109.6415	0.666	20	109.6415	0.666	20	109.6415	0.666	20	109.7280	1.100	26	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,6,6]	N[6]	4:3:4:1:	4:4:2:1:	4:3:4:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6a]C[5,6]C)(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[6,6a]C[5,6]C)(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	106.9430	0.000	1	106.9430	0.000	1	106.9430	0.000	1	106.9430	0.000	1	109.7280	1.100	26	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,6,6]	N[6]	4:3:4:1:	4:4:4:2:	4:3:3:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5])	N[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	109.7280	1.100	26	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,6,6]	N[6]	4:4:3:1:	4:3:4:3:	4:4:3:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6]-4:N[5,6]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6a])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(COO)	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	109.7280	1.100	26	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,6,6]	N[6]	4:4:3:1:	4:4:2:1:	4:4:4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(SCOO)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|N<3>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(SCOO){2|C<4>,2|O<2>,4|H<1>}	111.1100	0.000	1	110.7290	0.290	2	110.7290	0.290	2	110.7290	0.290	2	109.7280	1.100	26	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,6,6]	N[6]	4:4:3:1:	4:4:2:1:	4:4:4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(SCOO)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|S<2>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(SCOO){2|C<4>,2|O<2>,4|H<1>}	110.3480	0.000	1	110.7290	0.290	2	110.7290	0.290	2	110.7290	0.290	2	109.7280	1.100	26	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,6,6]	N[6]	4:4:3:1:	4:4:4:3:	4:4:3:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,5|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[5]C[5]O){10|H<1>,1|C<3>,2|C<4>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,3|C<4>,4|H<1>}	110.0610	0.000	1	110.0610	0.000	1	110.0610	0.000	1	110.0610	0.000	1	109.7280	1.100	26	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,6]	N[6,6]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.8370	0.000	1	107.8370	0.000	1	107.8370	0.000	1	107.8370	0.000	1	109.0878	5.815	5	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,6]	N[6,6]	3:4:4:1:	4:4:3:3:	3:4:4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	109.9560	0.000	1	109.9560	0.000	1	109.9560	0.000	1	109.9560	0.000	1	109.0878	5.815	5	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,6]	N[6,6]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,6]-4:N[6,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[6]-3:C[6]-3:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	108.5740	0.000	1	108.5740	0.000	1	108.5740	0.000	1	108.5740	0.000	1	109.0878	5.815	5	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,6]	N[6,6]	4:3:3:1:	4:3:4:3:	4:4:3:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|H<1>,2|C<4>,6|C<3>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	106.3520	0.000	1	106.3520	0.000	1	106.3520	0.000	1	106.3520	0.000	1	109.0878	5.815	5	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6,6]	C[5,6]	N[6,6]	4:3:4:1:	4:4:4:1:	4:3:4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	112.7200	0.000	1	112.7200	0.000	1	112.7200	0.000	1	112.7200	0.000	1	109.0878	5.815	5	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:1:	4:2:3:4:	4:4:3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	N[6](C[6]C[5,5,6,6]HH)2(CCO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5,5,6,6]HH)2(CCO){1|C<4>,2|C<3>,2|O<2>}	110.1917	0.555	4	110.1917	0.309	4	109.5968	0.668	12	109.5968	0.668	12	109.8182	1.109	15	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:1:	4:2:3:4:	4:4:3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	N[6](C[6]C[5,5,6,6]HH)2(CCO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[5,5,6,6]HH)2(CCO){1|C<4>,2|C<3>,2|O<2>}	108.4160	0.106	2	108.6410	0.157	3	109.5968	0.668	12	109.5968	0.668	12	109.8182	1.109	15	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:1:	4:2:3:4:	4:4:3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	N[6](C[6]C[5,5,6,6]HH)2(CCO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5,5,6,6]HH)2(CCO){1|C<4>,2|C<3>,2|O<2>}	109.0910	0.000	1	108.6410	0.157	3	109.5968	0.668	12	109.5968	0.668	12	109.8182	1.109	15	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:1:	4:2:3:4:	4:4:3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	N[6](C[6]C[5,5,6,6]HH)2(CCO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(CCO){1|C<4>,2|C<3>,2|O<2>}	109.2763	0.187	3	109.2763	0.035	3	109.5968	0.668	12	109.5968	0.668	12	109.8182	1.109	15	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:1:	4:2:3:4:	4:4:3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O){1|C<3>,2|C<4>,2|O<2>}	109.8120	0.000	1	109.8120	0.000	1	109.5968	0.668	12	109.5968	0.668	12	109.8182	1.109	15	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:1:	4:2:3:4:	4:4:3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	N[6](C[6]C[5,5,6,6]HH)2(COO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(COO){1|C<3>,2|C<4>,2|O<2>}	110.8310	0.000	1	110.8310	0.000	1	109.5968	0.668	12	109.5968	0.668	12	109.8182	1.109	15	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:1:	4:4:2:4:	4:4:3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O){1|C<3>,2|C<4>,2|O<2>}	112.3690	0.000	1	112.3690	0.000	1	111.4865	1.558	2	111.4865	1.558	2	109.8182	1.109	15	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:1:	4:4:2:4:	4:4:3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	N[6](C[6]C[5,5,6,6]HH)2(COO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(COO){1|C<3>,2|C<4>,2|O<2>}	110.6040	0.000	1	110.6040	0.000	1	111.4865	1.558	2	111.4865	1.558	2	109.8182	1.109	15	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:4:1:	4:2:2:4:	3:4:1:	C[5,5,6,6]-4:N[6]-3:C-4:H-1:	C[5,6,6]-4:O[5,5]-2:N[5,6]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6])(C[6]N[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CH)(H)	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6])(C[6]N[6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	109.8182	1.109	15	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,5,6]	N[6]	4:3:1:1:	4:4:4:4:	4:3:4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	115.6240	0.000	1	115.6240	0.000	1	112.9445	14.359	2	112.9445	14.359	2	112.9445	14.359	2	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,5,6]	N[6]	4:3:1:1:	4:4:4:4:	4:3:4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	110.2650	0.000	1	110.2650	0.000	1	112.9445	14.359	2	112.9445	14.359	2	112.9445	14.359	2	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6,6]	N[6,6]	4:3:1:1:	4:4:4:1:	4:4:3:	C[5,6,6]-4:N[6,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H)	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	107.0570	0.000	1	107.0570	0.000	1	107.0570	0.000	1	107.0570	0.000	1	107.0570	0.000	1	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:1:	4:2:4:1:	4:3:3:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:Br-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(Br)	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(Br){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.4020	0.000	1	113.4020	0.000	1	113.4020	0.000	1	113.4020	0.000	1	113.4945	0.017	2	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:1:	4:2:4:2:	4:3:3:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:O-2:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(OC)	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	113.5870	0.000	1	113.5870	0.000	1	113.5870	0.000	1	113.5870	0.000	1	113.4945	0.017	2	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6,6]	3:4:1:1:	4:4:4:1:	3:4:4:	N[6,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)2	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)2{2|C<3>,2|H<1>,4|C<4>}	111.8960	0.305	2	111.8960	0.093	2	111.8960	0.093	2	111.8960	0.093	2	111.3087	1.082	3	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:1:	4:4:4:1:	4:4:3:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]HH)(C[5]O[5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	111.3087	1.082	3	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	3:4:3:1:	4:4:4:1:	3:4:1:	C[5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H){1|N<3>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){2|C<4>,2|H<1>,4|C<3>}	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:3:3:4:	4:4:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5a]-3:C[5,6]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5])(C[6]N[6]HH)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5])(C[6]N[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){2|H<1>,3|C<3>}	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:3:4:3:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6,6a]C)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6,6a]C)(H)2{1|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|H<1>,1|N<3>,4|C<3>}	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:3:4:4:	4:4:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5a]-3:C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5]H)(C[6]N[6]HH)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5]H)(C[6]N[6]HH){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,2|H<1>}	112.8840	0.000	1	112.8840	0.000	1	112.8840	0.000	1	112.8840	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:3:1:	4:3:1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]N[5,6]N[5]H)(N[6]C[6]H)(H)2	C[5,6](N[5,6]C[5,5]C[6])(C[6]N[6]HH)(N[5]C[5]C)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]N[5,6]N[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]N[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|N<3>}	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:3:4:	4:3:4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:1:	4:4:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)2(CCO)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5,6]HH)2(CCO){1|C<4>,2|C<3>,2|H<1>}	112.1925	0.764	2	112.1925	0.584	2	112.1925	0.584	2	112.1925	0.584	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:2:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(CN){1|S<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	107.3960	0.000	1	107.3960	0.000	1	107.3960	0.000	1	107.3960	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:3:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(COO){1|S<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	110.3120	0.000	1	110.3120	0.000	1	110.3120	0.000	1	112.8020	12.400	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:3:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H){1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	115.2920	0.000	1	115.2920	0.000	1	115.2920	0.000	1	112.8020	12.400	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:4:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)2(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)2(C[6]N[6]HH){1|S<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:4:3:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	108.3130	0.000	1	109.2085	1.604	2	109.2085	1.604	2	109.2085	1.604	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:4:3:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<2>,1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	110.1040	0.000	1	109.2085	1.604	2	109.2085	1.604	2	109.2085	1.604	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:2:1:	4:3:1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H)	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,2|O<2>}	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:2:1:	4:3:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:N[6]-3:C-3:	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	N[6](C[6]C[5,6]HH)(N[6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[6]C[5,6]HH)(N[6]C[6]H)(CCO){1|O<2>,2|C<4>,2|H<1>}	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:2:4:	4:3:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]HH)(O[5]N[5])(CH3)	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]HH)(O[5]N[5])(CH3){1|C<3>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH){1|N<3>,1|O<2>,3|C<4>}	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:1:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.7410	0.000	1	112.7410	0.000	1	112.7410	0.000	1	112.7410	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:1:	4:4:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){1|C<3>,1|C<4>,3|H<1>}	110.7670	0.000	1	110.7670	0.000	1	109.7345	2.132	2	109.7345	2.132	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:1:	4:4:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	108.7020	0.000	1	108.7020	0.000	1	109.7345	2.132	2	109.7345	2.132	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:3:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]C[5]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]C[5]H)(COO){1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:4:	3:4:1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6,6a]H)(H)2	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6,6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]N[6]HH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H){1|N<3>,2|C<4>,3|C<3>}	111.6160	0.000	1	111.6160	0.000	1	111.6160	0.000	1	111.6160	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	110.2170	0.000	1	110.2170	0.000	1	110.2170	0.000	1	110.2170	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	4:3:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	111.6400	0.000	1	111.7620	0.030	2	110.7368	1.552	4	110.7368	1.552	4	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	111.8840	0.000	1	111.7620	0.030	2	110.7368	1.552	4	110.7368	1.552	4	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	110.1710	0.000	1	109.7115	0.422	2	110.7368	1.552	4	110.7368	1.552	4	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]O[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	109.2520	0.000	1	109.7115	0.422	2	110.7368	1.552	4	110.7368	1.552	4	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[3,5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5,6]HH)(C[6]N[6]HH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[3,5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5,6]HH)(C[6]N[6]HH)(COO){1|S<4>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	108.2670	0.000	1	108.2670	0.000	1	108.2670	0.000	1	108.6760	0.335	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	108.6760	0.335	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:3:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6a]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]N[6]HH)(COO)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6a]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]N[6]HH)(COO){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	112.2200	0.000	1	112.2200	0.000	1	112.2200	0.000	1	112.2200	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O){2|C<4>,2|H<1>,3|C<3>}	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:4:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]HH)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{2|H<1>,2|N<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]HH)(CH3){1|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:4:	4:3:1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH)	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH){1|H<1>,3|C<3>}	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H){3|C<4>}	107.2140	0.000	1	107.2140	0.000	1	107.1415	0.011	2	107.1415	0.011	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:4:	4:3:1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]HH)(C[6]N[6]HH)(CCHH)	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]HH)(C[6]N[6]HH)(CCHH){1|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H){3|C<4>}	107.0690	0.000	1	107.0690	0.000	1	107.1415	0.011	2	107.1415	0.011	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:4:	4:3:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]N[5]HO)(C[6]N[6]HH){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	113.1000	0.000	1	113.1000	0.000	1	113.1000	0.000	1	113.1000	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:2:1:	4:3:4:1:	4:2:3:	C[5,6]-4:N[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-2:C-3:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H)	N[6](C[6]C[5,6]HO)(N[6]C[5,6])(CCO)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H){1|N<3>,4|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	N[6](C[6]C[5,6]HO)(N[6]C[5,6])(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	114.3650	0.000	1	114.3650	0.000	1	114.3650	0.000	1	114.3650	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	3:4:3:1:	4:4:1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]N[6]H)(C[5]C[5]H)(H)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]N[6]H)(C[5]C[5]H)(H){2|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]CH)(H){1|H<1>,2|C<4>,4|C<3>}	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:3:4:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]H)(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|N<2>,6|C<3>}	110.9180	0.000	1	110.9180	0.000	1	110.9180	0.000	1	110.9180	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[5]-3:C[6]-4:C[5]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O)	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O){2|H<1>,7|C<3>}	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	110.8760	0.000	1	110.8760	0.000	1	110.8760	0.000	1	110.8760	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:3:2:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,4|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,6|C<3>}	110.4670	0.000	1	110.7120	0.120	2	110.7120	0.120	2	110.7120	0.120	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:3:2:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){6|C<3>,7|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,6|C<3>}	110.9570	0.000	1	110.7120	0.120	2	110.7120	0.120	2	110.7120	0.120	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:3:2:	3:4:4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(N[5]C[5])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(N[5]C[5]){3|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	109.0040	0.000	1	109.0040	0.000	1	109.0040	0.000	1	109.0040	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	109.9200	0.000	1	109.9200	0.000	1	109.9200	0.000	1	108.8047	0.331	11	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Br<1>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	108.5290	0.000	1	109.0277	0.224	3	108.6932	0.216	10	108.8047	0.331	11	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	109.4700	0.000	1	109.0277	0.224	3	108.6932	0.216	10	108.8047	0.331	11	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	109.0840	0.000	1	109.0277	0.224	3	108.6932	0.216	10	108.8047	0.331	11	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	108.3600	0.554	2	108.5499	0.170	7	108.6932	0.216	10	108.8047	0.331	11	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	108.8560	0.000	1	108.5499	0.170	7	108.6932	0.216	10	108.8047	0.331	11	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	108.5683	0.426	4	108.5499	0.170	7	108.6932	0.216	10	108.8047	0.331	11	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:3:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]C)(COO)(H)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCO)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]C)(COO)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCO){2|C<3>,2|C<4>,2|H<1>}	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	109.5485	0.016	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CCO){2|C<4>,2|H<1>,4|C<3>}	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.5485	0.016	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:3:	4:3:1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(COO)	N[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(COO){3|C<3>,5|H<1>}	N[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H){2|C<4>,3|C<3>}	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	109.2940	0.000	2	109.2940	0.000	2	109.4503	0.073	3	109.4503	0.073	3	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	109.7630	0.000	1	109.7630	0.000	1	109.4503	0.073	3	109.4503	0.073	3	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:1:	4:4:3:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO){1|C<4>,2|H<1>,2|O<2>}	103.1210	0.000	1	103.1210	0.000	1	103.1210	0.000	1	103.1210	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H)	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO){1|C<4>,1|H<1>,1|N<3>}	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	110.7450	0.000	1	110.7450	0.000	1	110.7450	0.000	1	109.9315	1.324	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[3]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[3]C[3]2H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[3]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[3]C[3]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[3]H)(H){2|C<3>,3|H<1>,4|C<4>}	109.1180	0.000	1	109.1180	0.000	1	109.1180	0.000	1	109.9315	1.324	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP2_SP3	C[6]	C[5,6]	N[6]	4:3:4:4:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CH3)2	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CH3)2{1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	107.4735	0.902	2	107.4735	0.813	2	107.4735	0.813	2	107.4735	0.813	2	109.9232	3.546	67	109.9013	3.367	129
466	474	856	6:SP3_SP3_SP3	C[3x6]	C[5,3x6]	N[6,6]	4:4:3:1:	4:4:3:2:	4:4:4:	C[5,3x6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:N[5,6]-3:O[6]-2:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5,3x6]C[5,6,6]N[5,6]O[6])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6])	N[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5,3x6]C[5,6,6]N[5,6]O[6])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6]){1|O<1>,3|C<4>,5|C<3>,5|H<1>}	N[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[3x6]	C[5,4x6]	N[3x6]	4:3:4:1:	4:4:4:4:	4:4:4:	C[5,4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[3x6]-4:C[5]-4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H)	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH)	N[3x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,7|C<4>,7|H<1>}	C[5,4x6](C[5,3x6]C[4x6]C[6]O[5])(C[3x6]C[3x6]C[6]C)(C[3x6]N[3x6]C[6]H)(C[5]C[5]HH){1|O<2>,6|C<4>,8|H<1>}	N[3x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH){5|H<1>,7|C<4>}	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[3x6]	C[5,4x6]	N[6]	4:4:3:2:	4:4:4:4:	4:4:4:	C[5,4x6]-4:C[6,6]-4:N[6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-4:C-4:	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH)	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH)	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH)	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH){1|C<3>,5|C<4>,6|H<1>}	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH){10|H<1>,1|O<1>,3|C<4>}	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH){4|C<4>,4|H<1>}	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[3x6]	C[5,5,6,6]	N[6,6]	4:4:3:1:	4:4:3:2:	4:4:4:	C[5,5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[5,5,6]-4:C[3x6]-4:N[5,6]-3:O[5]-2:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])	N[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a]){3|C<4>,5|C<3>,5|H<1>}	N[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	N[6,6]	3:4:3:1:	4:4:4:4:	4:4:4:	C[5a,6,6]-3:C[5,6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H)	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H){1|O<2>,3|C<3>,3|C<4>,9|H<1>}	C[5,6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	114.2280	0.509	2	114.2280	0.259	2	114.2280	0.259	2	114.2280	0.259	2	110.1372	6.569	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	N[6,6]	4:3:3:1:	4:4:3:1:	4:4:3:	C[5,6,6]-4:N[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:	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[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2)	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[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	110.1372	6.569	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	N[6,6]	4:3:3:4:	4:3:3:4:	4:4:3:	C[5,6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[5,6]-3:N[5,6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3)	C[5,6,6](C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])2(CH3)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	C[5,6,6](C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])2(CH3){1|C<3>,3|C<4>,8|H<1>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	110.1372	6.569	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	N[6,6]	4:3:3:4:	4:3:3:4:	4:4:4:	C[5,6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[5,6]-3:N[5,6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3)	C[5,6,6](C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])2(CH3)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	C[5,6,6](C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])2(CH3){1|C<3>,3|C<4>,8|H<1>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	107.8590	0.000	1	107.8590	0.000	1	107.8590	0.000	1	107.8590	0.000	1	110.1372	6.569	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	N[6,6]	4:3:3:4:	4:4:3:1:	4:4:4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	109.0115	0.527	4	109.0115	0.278	4	108.7992	0.434	5	108.7992	0.434	5	110.1372	6.569	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	N[6,6]	4:3:3:4:	4:4:3:1:	4:4:4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	107.9500	0.000	1	107.9500	0.000	1	108.7992	0.434	5	108.7992	0.434	5	110.1372	6.569	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	N[6,6]	4:4:3:1:	4:4:3:1:	4:4:4:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H){3|C<3>,3|C<4>,5|H<1>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	114.0080	0.000	1	114.0080	0.000	1	114.0080	0.000	1	114.0080	0.000	1	110.1372	6.569	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[3x6]	C[5,6,6]	N[6,6]	4:4:3:4:	4:4:3:4:	4:4:4:	C[5,6,6]-4:N[6,6]-4:N[6,6]-3:C-4:	N[5,6]-4:C[3x6]-4:N[5,6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3)	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3){5|C<4>,9|H<1>}	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3){5|C<4>,8|H<1>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	110.1372	6.569	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,3x6]	N[3x6]	4:3:1:1:	4:4:3:4:	4:4:4:	C[5,3x6]-4:N[3x6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[4x6]-4:C[6,6]-4:C[6]-4:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	N[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2{1|C<3>,5|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	N[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	110.5620	0.000	2	110.5620	0.000	2	110.5620	0.000	2	110.5620	0.000	2	110.5620	0.000	2	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,5,6,6]	N[6,6]	4:3:3:1:	4:4:4:4:	4:4:4:	C[5,5,6,6]-4:C[5a]-3:N[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:P[3,6,6]-4:C-4:	C[6,6](C[5,5,6,6]C[5,5,6,6]2C)(C[5a]C[5a]O[5a])(N[6,6]P[3,6,6]C)(H)	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]C)2(C[6,6]N[6,6]C[5a]H)(CH3)	N[6,6](C[6,6]C[5,5,6,6]C[5a]H)(P[3,6,6]C[3,5,6,6]2W)(CH3)	C[6,6](C[5,5,6,6]C[5,5,6,6]2C)(C[5a]C[5a]O[5a])(N[6,6]P[3,6,6]C)(H){1|H<1>,1|W<6>,4|C<3>,4|C<4>}	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]C)2(C[6,6]N[6,6]C[5a]H)(CH3){1|H<1>,1|O<2>,1|P<4>,2|C<3>,3|C<4>}	N[6,6](C[6,6]C[5,5,6,6]C[5a]H)(P[3,6,6]C[3,5,6,6]2W)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	115.3310	0.000	1	115.3310	0.000	1	115.3310	0.000	1	115.3310	0.000	1	115.3310	0.000	1	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	N[6,6]	4:3:4:1:	4:4:2:4:	4:4:4:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3)	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH){1|Si<4>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	109.3820	0.000	1	109.3820	0.000	1	109.3820	0.000	1	109.3820	0.000	1	109.3820	0.000	1	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	N[6]	4:3:3:4:	3:4:3:4:	4:4:1:	C[5,6,6]-4:C[6,6]-3:N[6]-3:C-4:	N[5,6,6]-3:C[6,6]-4:C[5,6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C[5,6,6](N[5,6,6]Ge[5,6]C[6])(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6,6](N[5,6,6]Ge[5,6]C[6])(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	106.3300	0.000	1	106.3300	0.000	1	106.3300	0.000	1	106.3300	0.000	1	104.7207	18.305	7	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	N[6]	4:3:3:4:	4:4:3:4:	4:4:1:	C[5,6,6]-4:C[6,6]-3:N[6]-3:C-4:	N[5,6,6]-4:C[6,6]-4:C[5,6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	104.7207	18.305	7	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	N[6]	4:4:3:1:	4:4:2:1:	4:4:4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6])(H){1|C<3>,4|C<4>,5|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	101.0740	0.000	1	101.0740	0.000	1	101.9027	0.712	4	101.9027	0.712	4	104.7207	18.305	7	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	N[6]	4:4:3:1:	4:4:2:1:	4:4:4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,6|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	102.1790	0.781	3	102.1790	0.610	3	101.9027	0.712	4	101.9027	0.712	4	104.7207	18.305	7	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6,6]	N[6]	4:4:3:2:	4:4:4:4:	4:4:4:	C[5,6,6]-4:C[6]-4:N[6]-3:O-2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH)	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH){4|C<4>,4|H<1>}	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	104.7207	18.305	7	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6]	N[6,6]	3:4:3:1:	4:3:4:1:	4:4:1:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:Cl-1:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]H)(Cl)	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[6,6](C[6,6]C[5a,6]C[5,6]Cl)(C[6,6]C[6]2H)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]H)(Cl){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[5,6]Cl)(C[6,6]C[6]2H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	108.4930	0.000	1	108.4930	0.000	1	108.4930	0.000	1	108.4930	0.000	1	109.2186	6.939	13	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6]	N[6,6]	3:4:3:1:	4:4:2:1:	4:4:4:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	108.9050	0.000	1	108.9050	0.000	1	108.9050	0.000	1	108.9050	0.000	1	109.2186	6.939	13	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6]	N[6,6]	3:4:3:1:	4:4:3:1:	4:3:4:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	107.1070	0.310	2	107.1070	0.096	2	107.1070	0.096	2	107.1070	0.096	2	109.2186	6.939	13	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6]	N[6,6]	3:4:4:1:	4:4:3:3:	3:4:4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	110.1030	0.000	1	110.1030	0.000	1	110.2545	0.046	2	110.2545	0.046	2	109.2186	6.939	13	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6]	N[6,6]	3:4:4:1:	4:4:3:3:	3:4:4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	110.4060	0.000	1	110.4060	0.000	1	110.2545	0.046	2	110.2545	0.046	2	109.2186	6.939	13	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6]	N[6,6]	4:3:3:1:	4:4:2:1:	4:4:4:	C[5,6]-4:C[5,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H)	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	N[6,6](C[6,6]C[5,6]2H)(C[6]C[6]HH)2	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H){2|O<2>,5|C<4>,5|H<1>}	C[5,6](C[6,6]C[5,6]N[6,6]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	N[6,6](C[6,6]C[5,6]2H)(C[6]C[6]HH)2{1|N<2>,2|C<4>,2|O<2>,4|H<1>}	111.6490	0.000	1	111.6490	0.000	1	111.6490	0.000	1	111.6490	0.000	1	109.2186	6.939	13	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6]	N[6,6]	4:3:3:1:	4:4:3:3:	4:4:4:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6a]-3:C[5]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	104.8890	0.242	2	104.8890	0.058	2	104.8890	0.058	2	104.8890	0.058	2	109.2186	6.939	13	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6]	N[6,6]	4:3:4:1:	4:4:4:1:	4:4:4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH){4|C<4>,6|H<1>}	112.5870	0.000	1	112.5870	0.000	1	111.3860	2.885	2	111.3860	2.885	2	109.2186	6.939	13	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6]	N[6,6]	4:3:4:1:	4:4:4:1:	4:4:4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)(H){3|C<4>,5|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	110.1850	0.000	1	110.1850	0.000	1	111.3860	2.885	2	111.3860	2.885	2	109.2186	6.939	13	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6]	N[6,6]	4:3:4:1:	4:4:4:4:	4:4:4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:Si-4:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC)	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC){1|C<3>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH){1|Si<4>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	109.2186	6.939	13	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6,6]	C[5,6]	N[6,6]	4:4:3:1:	4:4:4:1:	4:4:1:	C[5,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[5,6]C[6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[5,6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	112.9380	0.000	1	112.9380	0.000	1	112.9380	0.000	1	112.9380	0.000	1	109.2186	6.939	13	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:1:	3:2:3:4:	4:4:4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	N[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<4>,1|S<4>,5|H<1>}	N[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	105.3210	0.031	2	105.3210	0.001	2	105.3210	0.001	2	105.3210	0.001	2	109.2069	4.386	14	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:1:	4:2:3:4:	4:4:4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>,2|O<2>}	111.3690	1.209	2	111.3690	1.462	2	111.3690	1.462	2	109.5964	1.738	10	109.2069	4.386	14	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:1:	4:2:3:4:	4:4:4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	N[6](C[6]C[5,5,6,6]HH)2(SC[6a]OO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	N[6](C[6]C[5,5,6,6]HH)2(SC[6a]OO){1|C<4>,2|C<3>,2|O<2>}	109.2340	0.962	6	109.2340	0.926	6	109.1532	0.904	8	109.5964	1.738	10	109.2069	4.386	14	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:1:	4:2:3:4:	4:4:4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	N[6](C[6]C[5,5,6,6]HH)2(SC[6a]OO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	N[6](C[6]C[5,5,6,6]HH)2(SC[6a]OO){1|C<4>,2|C<3>,2|O<2>}	108.0340	0.000	1	108.0340	0.000	1	109.1532	0.904	8	109.5964	1.738	10	109.2069	4.386	14	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:1:	4:2:3:4:	4:4:4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH)	N[6](C[6]C[5,5,6,6]HH)2(SC[6a]OO)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(SC[6a]OO){1|C<4>,2|C<3>,2|O<2>}	109.7880	0.000	1	109.7880	0.000	1	109.1532	0.904	8	109.5964	1.738	10	109.2069	4.386	14	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:1:1:	4:4:2:4:	4:4:3:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5,5]-2:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH)	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO){1|C<3>,2|C<4>,2|O<2>}	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	109.2069	4.386	14	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,5,6,6]	N[6]	4:3:3:1:	4:4:3:4:	4:3:4:	C[5,5,6,6]-4:N[6]-3:C-3:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[5,6a])(N[6]C[6]C)(CNO)(H)	C[5,5,6,6](C[5,5,3x6]N[5,6,6]C[6,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]CH)	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[5,6a])(N[6]C[6]C)(CNO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[5,5,6,6](C[5,5,3x6]N[5,6,6]C[6,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]CH){1|H<1>,1|S<4>,4|C<4>,5|C<3>}	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,4|C<4>}	112.1790	0.000	1	112.1790	0.000	1	112.1790	0.000	1	112.1790	0.000	1	109.2069	4.386	14	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,5,6]	N[6]	4:3:1:1:	4:3:3:4:	4:4:4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(N[6]C[6]C)(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(C[6]N[6]HH)	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(C[6]N[6]HH){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	111.5250	0.000	1	111.5250	0.000	1	111.5250	0.000	1	111.5250	0.000	1	108.5474	2.879	9	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,5,6]	N[6]	4:3:1:1:	4:3:4:4:	4:4:4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[3x5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]N[6]HH)	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]N[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	110.7610	0.000	1	110.7610	0.000	1	109.0585	5.797	2	108.5853	3.570	3	108.5474	2.879	9	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,5,6]	N[6]	4:3:1:1:	4:3:4:4:	4:4:4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[3x5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]N[6]HH)	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]N[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	107.3560	0.000	1	107.3560	0.000	1	109.0585	5.797	2	108.5853	3.570	3	108.5474	2.879	9	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,5,6]	N[6]	4:3:1:1:	4:3:4:4:	4:4:4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6]OO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|O<1>,4|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6]OO){1|C<3>,1|H<1>,2|C<4>}	107.6390	0.000	1	107.6390	0.000	1	107.6390	0.000	1	108.5853	3.570	3	108.5474	2.879	9	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,5,6]	N[6]	4:3:1:1:	4:4:3:4:	4:4:4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5,6]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]C[5,6]O)(C[6]N[6]HH)	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]C[5,6]O)(C[6]N[6]HH){1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	107.2680	0.255	3	107.2680	0.065	3	107.2680	0.065	3	107.2680	0.065	3	108.5474	2.879	9	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,5,6]	N[6]	4:3:1:1:	4:4:4:4:	4:4:4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|H<1>,2|O<2>,3|C<3>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	109.8430	0.000	1	109.8430	0.000	1	109.8430	0.000	1	109.8430	0.000	1	108.5474	2.879	9	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,5,6]	N[6]	4:3:4:1:	4:3:4:2:	4:4:1:	C[5,5,6]-4:N[6]-3:C-4:H-1:	C[5,5,6]-4:N[5]-3:C[6]-4:O[5]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6]C[6]H)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]N[6]CH)(O[5]C[5])	N[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6]C[6]H)(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]N[6]CH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	108.5474	2.879	9	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]S)(H)2	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	111.3059	3.889	8	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:1:	4:3:4:3:	4:4:4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(C[5]O[5]O)	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(C[5]O[5]O){4|C<4>,4|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1	111.3059	3.889	8	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO)	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO){3|C<3>,4|C<4>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	112.4720	0.000	1	112.4720	0.000	1	112.4720	0.000	1	112.4720	0.000	1	111.3059	3.889	8	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:1:	4:4:4:4:	4:4:1:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[6]-4:C[6]-4:	C[6]-4:S[6]-4:H-1:	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(N[6]S[6]H)(H)2	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH)	N[6](C[6]C[5,6,6]HH)(S[6]O[6]OO)(H)	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(N[6]S[6]H)(H)2{2|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(C[6]N[6]HH)(C[6]O[6]HH){1|S<4>,5|C<4>,6|H<1>}	N[6](C[6]C[5,6,6]HH)(S[6]O[6]OO)(H){3|C<4>}	111.3320	0.000	1	111.3320	0.000	1	111.3320	0.000	1	111.3320	0.000	1	111.3059	3.889	8	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:1:	4:4:4:4:	4:4:4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH)	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH){2|C<4>,3|C<3>,6|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<4>}	114.2400	0.000	1	114.2400	0.000	1	114.2400	0.000	1	112.9843	1.625	3	111.3059	3.889	8	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:1:	4:4:4:4:	4:4:4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]S)(H)2	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH)	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	111.6910	0.000	1	111.6910	0.000	1	111.6910	0.000	1	112.9843	1.625	3	111.3059	3.889	8	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6,6]	N[6]	4:3:1:1:	4:4:4:4:	4:4:4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH)	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<3>,1|N<2>,2|O<2>,3|H<1>,4|C<4>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	112.9843	1.625	3	111.3059	3.889	8	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	109.7560	0.000	1	109.7560	0.000	1	109.7560	0.000	1	109.7560	0.000	1	111.3059	3.889	8	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6,6]	3:4:1:1:	4:4:4:3:	4:4:4:	N[6,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	109.5920	4.959	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:1:	4:4:2:1:	4:4:4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,2|O<2>,6|H<1>}	107.3370	0.000	1	107.2700	0.009	2	107.2700	0.009	2	107.2700	0.009	2	109.5920	4.959	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:1:	4:4:2:1:	4:4:4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6,6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	107.2030	0.000	1	107.2700	0.009	2	107.2700	0.009	2	107.2700	0.009	2	109.5920	4.959	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:1:	4:4:2:4:	4:4:4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){1|O<1>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	109.5920	4.959	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:1:	4:4:4:1:	4:4:4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	110.7950	0.000	1	109.5920	4.959	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:1:	4:4:4:2:	4:4:4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5]O)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH){2|C<3>,2|H<1>,4|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	109.5920	4.959	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(NCH){2|C<3>,2|H<1>,4|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	108.1693	0.357	3	108.1693	0.128	3	108.1693	0.128	3	108.1693	0.128	3	109.5920	4.959	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6,6]	4:3:1:1:	4:4:4:4:	4:4:4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6,6]C[6,6]C[6])(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6,6]HH)(CH3)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]C)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6,6]HH)(CH3){1|O<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	110.2100	0.040	2	110.2100	0.002	2	110.2100	0.002	2	110.2100	0.002	2	109.5920	4.959	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6,6]	4:3:4:1:	4:4:4:1:	4:4:4:	C[5,6]-4:N[6,6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H){4|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH){4|C<4>,6|H<1>}	109.8520	0.000	1	109.8520	0.000	1	109.8520	0.000	1	109.8520	0.000	1	109.5920	4.959	12	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	3:4:3:1:	4:4:4:1:	3:4:1:	C[5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H){1|N<3>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){2|C<4>,2|H<1>,4|C<3>}	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1	109.2040	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	2:4:2:4:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]O[5,6]O[5]C)(N[6]C[6]S)(H)2	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3)	N[6](C[6]C[5,6]HH)2(SC[6a]OO)	C[6](C[5,6]O[5,6]O[5]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<4>,3|H<1>}	N[6](C[6]C[5,6]HH)2(SC[6a]OO){1|H<1>,2|C<4>,2|O<2>}	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	2:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]O[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)2(SC[6a]OO)	C[6](C[5,6]O[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<4>}	N[6](C[6]C[5,6]HH)2(SC[6a]OO){1|H<1>,2|C<4>,2|O<2>}	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:2:4:3:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:O[6]-2:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(N[6]C[6,6a]S)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]N[6]HH)(C[5]N[5]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SCOO)	C[6](C[5,6]C[5,6a]C[5]O[6])(N[6]C[6,6a]S)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]N[6]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SCOO){1|H<1>,1|O<2>,4|C<3>}	111.6120	0.000	1	111.6120	0.000	1	111.6120	0.000	1	111.6120	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:2:1:	4:4:1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6]H)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	109.8810	0.000	1	109.8810	0.000	1	109.8810	0.000	1	109.8810	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:3:4:	4:3:4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:1:	4:4:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5,6]HH)2(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	112.0180	0.000	1	112.4955	0.456	2	112.4955	0.456	2	112.4955	0.456	2	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:1:	4:4:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[5,6]HH)2(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	112.9730	0.000	1	112.4955	0.456	2	112.4955	0.456	2	112.4955	0.456	2	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[4,6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[4,6]S)(H)2	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[4,6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<4>}	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	114.3510	0.000	1	114.3510	0.000	1	114.3510	0.000	1	108.9868	10.374	5	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,4|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	107.2290	0.000	1	107.2290	0.000	1	107.6457	1.843	4	108.9868	10.374	5	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	109.6600	0.000	1	109.6600	0.000	1	107.6457	1.843	4	108.9868	10.374	5	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	106.9510	0.000	1	106.8470	0.022	2	107.6457	1.843	4	108.9868	10.374	5	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|S<4>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	106.7430	0.000	1	106.8470	0.022	2	107.6457	1.843	4	108.9868	10.374	5	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:4:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,5]C[5,5]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<3>,6|C<4>,7|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	110.9620	0.000	1	110.9620	0.000	1	110.9620	0.000	1	108.9333	2.237	4	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:4:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,3|C<4>}	109.0540	0.000	1	109.0540	0.000	1	109.0540	0.000	1	108.9333	2.237	4	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:4:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|S<4>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|C<4>}	108.2270	0.000	1	107.8585	0.272	2	107.8585	0.272	2	108.9333	2.237	4	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	3:4:4:4:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|C<4>}	107.4900	0.000	1	107.8585	0.272	2	107.8585	0.272	2	108.9333	2.237	4	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:3:4:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]C)(H)2	C[5,6](C[6]C[5a,6]HH)(C[5]C[5,6a]O)2(C[6]N[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CC[6a]HH)	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]C)(H)2{1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[6]C[5a,6]HH)(C[5]C[5,6a]O)2(C[6]N[6]HH){1|C<4>,4|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	114.5650	0.000	1	114.5650	0.000	1	114.5650	0.000	1	114.5650	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:3:4:	4:3:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[6a]N[5])(N[6]C[6a]C[6])(H)2	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[5,6]C[5,6]C[6a]N[5])(N[6]C[6a]C[6])(H)2{1|C<4>,2|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|S<4>,4|H<1>,6|C<3>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]C[5,6]C)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HH)(H)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HH)(H){1|H<1>,3|C<4>,4|C<3>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3){1|H<1>,2|C<4>,4|C<3>}	110.2953	0.298	3	110.2953	0.089	3	110.2953	0.089	3	109.4747	3.998	15	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)2(CH3)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6]C[5,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	105.6650	0.000	2	105.6650	0.000	2	109.6896	5.388	9	109.4747	3.998	15	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	111.8650	0.000	1	111.8650	0.000	1	109.6896	5.388	9	109.4747	3.998	15	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	110.7532	0.220	4	110.7532	0.048	4	109.6896	5.388	9	109.4747	3.998	15	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)2(CH3)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](C[6]C[5,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	110.4990	0.000	2	110.4990	0.000	2	109.6896	5.388	9	109.4747	3.998	15	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H){2|C<4>,4|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	109.4747	3.998	15	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	106.5890	0.000	1	106.5890	0.000	1	106.5890	0.000	1	109.4747	3.998	15	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5]C[6a]2O[5])(N[5,6]C[5]C[6])(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]2O[5])(N[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,3|H<1>}	108.0930	0.000	1	108.0930	0.000	1	108.0930	0.000	1	109.4747	3.998	15	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:4:2:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5])	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5]){3|C<3>,4|C<4>}	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,1|O<2>,3|C<4>}	113.0123	2.098	3	113.0123	4.400	3	113.0123	4.400	3	113.0123	4.400	3	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:4:4:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH)	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH){2|C<3>,2|H<1>,4|C<4>}	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,4|C<4>}	110.0485	0.489	2	110.0485	0.239	2	111.4065	2.539	4	111.4065	2.539	4	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:3:4:4:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH)	N[6](C[6]C[5,6]HH)2(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH){2|C<3>,2|H<1>,4|C<4>}	N[6](C[6]C[5,6]HH)2(CH3){1|C<3>,4|C<4>}	112.7645	0.050	2	112.7645	0.003	2	111.4065	2.539	4	111.4065	2.539	4	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	112.0400	0.000	1	111.4480	0.701	2	111.4480	0.701	2	110.9773	1.015	3	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	110.8560	0.000	1	111.4480	0.701	2	111.4480	0.701	2	110.9773	1.015	3	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(H)2	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(S[5]C[5])(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]HH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	110.0360	0.000	1	110.0360	0.000	1	110.0360	0.000	1	110.9773	1.015	3	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:2:1:	4:4:1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	112.9890	0.000	1	112.9890	0.000	1	112.6045	0.296	2	112.6045	0.296	2	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:2:1:	4:4:1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H)	N[6](C[6]N[5,6]C[6]H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6](C[5,6]N[5,6]HH)(C[6]N[6]HH)(O[5]C[5])(H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]N[5,6]C[6]H)(C[6]C[5,6]HH)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	112.2200	0.000	1	112.2200	0.000	1	112.6045	0.296	2	112.6045	0.296	2	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:2:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(O[5]C[5])(H){1|O<2>,5|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	105.3340	0.000	1	105.3340	0.000	1	105.3340	0.000	1	105.3340	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:2:3:	4:4:3:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH)	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO)	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2{3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]N[6]HH)(O[5]C[5])(CCH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO){1|C<3>,2|C<4>,2|O<2>}	113.3340	0.000	1	113.3340	0.000	1	113.3340	0.000	1	113.3340	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:2:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]N[6]HH)(O[5]C[5,6])(CCO)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]S)(H)2{2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]N[6]HH)(O[5]C[5,6])(CCO){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.3615	2.174	2	111.3615	4.728	2	111.3615	4.728	2	111.3615	4.728	2	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:2:4:	4:2:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:O[6]-2:C-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6]O[6]C)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO)	N[6](C[6]C[5,6]HH)(O[6]C[5,6])(CH3)	C[6](C[5,6]C[5,6]O[5]C)(N[6]O[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6](C[6]C[5,6]HH)(O[6]C[5,6])(CH3){1|H<1>,1|O<2>,3|C<4>}	109.8210	0.000	2	109.8210	0.000	2	109.8210	0.000	2	109.8210	0.000	2	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:1:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	110.1250	0.624	2	109.9226	0.359	5	109.9226	0.359	5	110.3897	1.596	6	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:1:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	109.7877	0.675	3	109.9226	0.359	5	109.9226	0.359	5	110.3897	1.596	6	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:1:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.7250	0.000	1	112.7250	0.000	1	112.7250	0.000	1	110.3897	1.596	6	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	110.1010	1.252	3	110.1010	1.567	3	110.1010	1.567	3	110.0112	1.430	5	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	110.0112	1.430	5	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]S)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|S<4>,2|C<4>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	110.0112	1.430	5	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:2:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5])	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.9140	0.000	1	111.9140	0.000	1	111.9140	0.000	1	111.9140	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2	C[5,6](C[6]N[6]HH)2(C[5]C[5]H)(N[5]C[5]C)	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2{1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[6]N[6]HH)2(C[5]C[5]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>}	109.2840	0.000	1	109.2840	0.000	1	109.2840	0.000	1	109.2840	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:4:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,1|O<2>,3|C<4>}	108.1060	0.000	1	108.8707	1.731	3	108.8707	1.731	3	108.8707	1.731	3	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:3:4:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,1|O<2>,3|C<4>}	109.2530	1.608	2	108.8707	1.731	3	108.8707	1.731	3	108.8707	1.731	3	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	110.7530	0.000	1	110.7530	0.000	1	110.7530	0.000	1	111.5920	1.408	2	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	112.4310	0.000	1	112.4310	0.000	1	112.4310	0.000	1	111.5920	1.408	2	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	4:3:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH){1|H<1>,3|C<4>}	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	112.3270	0.614	2	112.3270	0.377	2	112.3270	0.377	2	110.4527	3.204	8	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	111.8990	0.000	1	111.8990	0.000	1	111.8990	0.000	1	110.4527	3.204	8	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	108.9160	0.000	1	108.9160	0.000	1	109.4138	1.884	5	110.4527	3.204	8	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	108.4310	0.000	1	108.4310	0.000	1	109.4138	1.884	5	110.4527	3.204	8	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	108.7390	0.000	1	108.7390	0.000	1	109.4138	1.884	5	110.4527	3.204	8	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	109.1600	0.000	1	109.1600	0.000	1	109.4138	1.884	5	110.4527	3.204	8	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|Si<4>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	111.8230	0.000	1	111.8230	0.000	1	109.4138	1.884	5	110.4527	3.204	8	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:2:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC){2|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	110.7720	0.000	1	110.7720	0.000	1	110.7720	0.000	1	110.7720	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	3:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]S)(H)2	C[5,6](C[5,5,6]C[6,6a]C[5,5]O[5])(C[5]C[5]HH)(C[6]N[6]HH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]O[5])(C[5]C[5]HH)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,2|C<3>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	110.7580	0.000	1	110.7580	0.000	1	110.7580	0.000	1	110.7580	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<2>,3|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	111.8755	0.500	2	111.8755	0.250	2	108.6755	1.383	35	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,5|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	109.1600	1.102	3	109.1600	1.213	3	108.6755	1.383	35	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,5|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	109.5400	0.000	1	109.5400	0.000	1	108.6755	1.383	35	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,6|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	108.5800	0.000	1	108.6088	0.779	13	108.6755	1.383	35	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,5|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	108.4081	0.876	7	108.6088	0.779	13	108.6755	1.383	35	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,7|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	107.8860	0.000	1	108.6088	0.779	13	108.6755	1.383	35	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,6|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	108.6850	0.322	3	108.6088	0.779	13	108.6755	1.383	35	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	110.5370	0.000	1	108.6088	0.779	13	108.6755	1.383	35	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	108.1700	0.000	1	108.1700	0.000	1	108.6755	1.383	35	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,4|C<4>,5|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	108.0670	0.000	1	108.0670	0.000	1	108.6755	1.383	35	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,4|C<4>,5|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	108.0950	0.000	1	107.5828	0.096	8	108.6755	1.383	35	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	107.5096	0.249	7	107.5828	0.096	8	108.6755	1.383	35	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	109.0142	0.609	5	109.0142	0.371	5	108.6755	1.383	35	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,3|C<4>,5|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	108.9850	0.000	1	108.9850	0.000	1	108.6755	1.383	35	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[4]-4:C[6]-4:N[5]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[4]N[5])(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[4]C[4]2H)(C[6]N[6]HH)(N[5]C[5]C)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[4]N[5])(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[4]C[4]2H)(C[6]N[6]HH)(N[5]C[5]C){1|O<1>,4|C<4>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<3>,2|C<4>,2|H<1>}	116.7450	0.000	1	116.7450	0.000	1	116.7450	0.000	1	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,2|C<4>,2|H<1>}	110.4150	0.000	1	110.4150	0.000	1	109.4930	1.700	2	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,6|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	108.5710	0.000	1	108.5710	0.000	1	109.4930	1.700	2	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O){1|C<4>,1|S<4>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	110.3560	0.000	1	110.3560	0.000	1	109.2965	0.858	4	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:3:	4:4:4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[6]N[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|S<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>}	108.9433	0.734	3	108.9433	0.539	3	109.2965	0.858	4	108.9766	2.761	43	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:1:1:	4:4:4:4:	4:4:1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6]HH)(CH3)	N[6](C[6]C[5,6]C[5a]H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[5,6]C[5a]H)(C[6]C[5,6]HH)(H){1|O<2>,3|C<3>,3|C<4>}	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:2:1:	4:4:2:1:	4:4:4:	C[5,6]-4:N[6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:2:1:	4:4:2:4:	4:4:4:	C[5,6]-4:N[6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3){1|H<1>,1|O<2>,4|C<4>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	114.1310	0.000	1	114.1310	0.000	1	114.1310	0.000	1	114.1310	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	3:4:4:3:	3:4:4:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(CC[6a]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O){1|H<1>,1|S<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	113.6950	0.000	1	113.6950	0.000	1	113.8220	0.032	2	113.8220	0.032	2	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	3:4:4:3:	3:4:4:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(COO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O){1|H<1>,1|S<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	113.9490	0.000	1	113.9490	0.000	1	113.8220	0.032	2	113.8220	0.032	2	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:3:1:	4:2:4:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:O[6]-2:C-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]CH)(C[5]C[5]H)(H)	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]CH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	107.9910	0.000	1	107.9910	0.000	1	107.9910	0.000	1	107.9910	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:3:2:	4:4:4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	106.7720	0.000	1	106.7720	0.000	1	106.7720	0.000	1	106.7720	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:3:3:	3:4:4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O){1|S<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,6|C<3>}	111.8830	0.000	1	111.8830	0.000	1	111.8830	0.000	1	111.8830	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:3:3:	4:4:1:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:C[5]-3:	C[6]-4:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5a]C[5a]O[5a])(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)	N[6](C[6]C[5,6]C[5a]H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5a]C[5a]O[5a])(N[6]C[6]H)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	N[6](C[6]C[5,6]C[5a]H)(C[6]C[5,6]HH)(H){1|O<2>,3|C<3>,3|C<4>}	106.7600	0.000	1	106.7600	0.000	1	106.7600	0.000	1	106.7600	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:3:3:	4:4:3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6]-4:C[6a]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H)	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<2>,2|O<1>,3|H<1>,7|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,7|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:3:3:	4:4:4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]O)2{1|H<1>,3|C<4>,6|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH){1|H<1>,2|C<4>,5|C<3>}	111.2710	1.386	2	111.2710	1.921	2	111.2710	1.921	2	111.2710	1.921	2	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	108.4719	0.764	12	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(COO)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(COO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	108.4719	0.764	12	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Br<1>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	108.7610	0.000	1	108.9075	0.043	2	108.2706	0.640	10	108.4719	0.764	12	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	109.0540	0.000	1	108.9075	0.043	2	108.2706	0.640	10	108.4719	0.764	12	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	107.5560	0.000	1	108.1114	0.672	8	108.2706	0.640	10	108.4719	0.764	12	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	107.7950	0.000	1	108.1114	0.672	8	108.2706	0.640	10	108.4719	0.764	12	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	108.2567	0.913	6	108.1114	0.672	8	108.2706	0.640	10	108.4719	0.764	12	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:2:	4:4:1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[5]-4:C[6]-4:O[5]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<3>,3|C<4>,8|H<1>}	C[5,6](C[6]C[6a]N[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,3|C<3>,6|H<1>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.7845	0.310	2	111.7845	0.096	2	111.7845	0.096	2	111.7845	0.096	2	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	3:4:4:1:	3:4:4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|H<1>,1|S<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	112.6940	0.000	1	112.6940	0.000	1	112.6940	0.000	1	112.6940	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	109.8328	0.375	5	109.5852	0.480	6	109.3575	0.533	8	108.8691	1.036	18	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	108.3470	0.000	1	109.5852	0.480	6	109.3575	0.533	8	108.8691	1.036	18	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	108.4660	0.000	1	108.4660	0.000	1	109.3575	0.533	8	108.8691	1.036	18	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	108.8830	0.000	1	108.8830	0.000	1	109.3575	0.533	8	108.8691	1.036	18	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<2>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	109.2420	0.000	2	109.2593	0.028	6	108.4784	1.161	10	108.8691	1.036	18	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	109.2680	0.215	4	109.2593	0.028	6	108.4784	1.161	10	108.8691	1.036	18	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H)	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5a,6]N[5]H)(C[6]N[6]CH)(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	107.3070	0.622	4	107.3070	0.387	4	108.4784	1.161	10	108.8691	1.036	18	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:1:	4:3:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:N[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	N[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	114.3430	0.000	1	114.3430	0.000	1	114.3430	0.000	1	114.3430	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:1:	4:4:2:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:O[6]-2:	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	107.1640	0.000	1	107.3465	0.067	2	107.3465	0.067	2	107.3465	0.067	2	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:1:	4:4:2:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:O[6]-2:	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>}	107.5290	0.000	1	107.3465	0.067	2	107.3465	0.067	2	107.3465	0.067	2	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:1:	4:4:4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){2|H<1>,4|C<4>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	115.5620	0.000	1	115.5620	0.000	1	115.5620	0.000	1	115.5620	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:3:	4:4:4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-2:C-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H){1|N<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]CH)(N[5]N[5])(COO){2|C<4>,4|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	106.9920	0.000	1	106.9920	0.000	1	106.9920	0.000	1	106.9920	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	856	6:SP3_SP3_SP3	C[6]	C[5,6]	N[6]	4:3:4:1:	4:4:4:1:	4:4:4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,2|S<4>,4|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	107.4630	0.000	1	107.4630	0.000	1	107.4630	0.000	1	107.4630	0.000	1	109.7186	4.188	175	109.6044	5.515	258
466	474	863	0:SP3_SP2_SP3	C[6]	C[5,6]	O	3:4:1:1:	4:4:4:1:	4:	C[5a,6]-3:C[5,6]-4:H-1:O-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)(O)	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H)	O(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)(O){1|H<1>,1|O<2>,1|S<4>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H){1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[5a,6]C[5,6]H)	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	109.1267	1.958	6	108.1734	7.993	7
466	474	863	0:SP3_SP2_SP3	C[6]	C[5,6]	O	3:4:3:1:	4:4:4:1:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O)	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H)	O(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[5,6](C[6]C[6,6a]C[6a]O)(C[5,6]C[5,6]CO)(C[5]O[5]HH)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]C[6a])	107.9360	0.000	1	107.9360	0.000	1	107.9360	0.000	1	107.9360	0.000	1	109.1267	1.958	6	108.1734	7.993	7
466	474	863	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:1:1:	3:4:4:3:	4:	C[5,6]-4:C[6]-4:H-1:O-1:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CCO)	O(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)(O){3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CCO){1|C<4>,8|H<1>}	O(C[6]C[5,6]C[6]H)	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	109.1267	1.958	6	108.1734	7.993	7
466	474	863	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:H-1:O-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)(O)	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)(O){3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,8|H<1>}	O(C[6]C[5,6]C[6]H)	110.1560	0.000	1	110.1560	0.000	1	110.1560	0.000	1	110.1560	0.000	1	109.1267	1.958	6	108.1734	7.993	7
466	474	863	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:4:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:C-4:O-1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	O(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|H<1>,1|N<2>,1|O<2>,2|C<4>,4|C<3>}	O(C[6]C[5,6]C[6]C)	107.2360	0.000	1	107.2360	0.000	1	108.1405	1.636	2	108.1405	1.636	2	109.1267	1.958	6	108.1734	7.993	7
466	474	863	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:4:1:	4:3:2:4:	4:	C[5,6]-4:C[6]-4:C-4:O-1:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	O(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[5,6]C[6]C)	109.0450	0.000	1	109.0450	0.000	1	108.1405	1.636	2	108.1405	1.636	2	109.1267	1.958	6	108.1734	7.993	7
466	474	863	0:SP3_SP2_SP3	C[6]	C[5]	O	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C[6]-4:O[6]-2:O-1:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(O)	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H)	O(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(O){4|H<1>,5|C<4>}	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(O[5]C[5])(H){1|Se<2>,3|C<4>,4|H<1>}	O(C[6]C[5]C[6]O[6])	102.4540	0.000	1	102.4540	0.000	1	102.4540	0.000	1	102.4540	0.000	1	102.4540	0.000	1	108.1734	7.993	7
466	474	874	6:SP3_SP3_SP3	C[6]	C[5,6]	B[6]	4:4:1:1:	3:4:4:1:	4:3:3:2:	C[5,6]-4:B[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H)	B[6](C[6]C[5,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]P[5]HH)(C[6]B[6]HH)(H){1|H<1>,2|O<2>,5|C<3>}	B[6](C[6]C[5,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|F<1>,5|C<3>}	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1
466	474	880	0:SP3_SP3_SP3	C[6]	C[5,6]	Si	4:4:4:1:	3:4:3:1:	4:4:4:4:	C[5,6]-4:C[6]-4:Si-4:H-1:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H)	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H)	Si(C[6]C[5,6]C[6]H)(CH3)3	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H){1|C<4>,5|H<1>}	Si(C[6]C[5,6]C[6]H)(CH3)3	116.1710	0.000	3	116.5730	0.303	5	116.5730	0.303	5	116.5730	0.303	5	116.3389	9.184	10	116.3389	9.184	10
466	474	880	0:SP3_SP3_SP3	C[6]	C[5,6]	Si	4:4:4:1:	3:4:3:1:	4:4:4:4:	C[5,6]-4:C[6]-4:Si-4:H-1:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H)	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H)	Si(C[6]C[5,6]C[6]H)(CH3)3	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	Si(C[6]C[5,6]C[6]H)(CH3)3	117.1760	0.000	2	116.5730	0.303	5	116.5730	0.303	5	116.5730	0.303	5	116.3389	9.184	10	116.3389	9.184	10
466	474	880	0:SP3_SP3_SP3	C[6]	C[5,6]	Si	4:4:4:1:	4:4:4:1:	4:3:4:4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[6a]-3:C-4:C-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H)	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	111.3540	0.209	2	111.3540	0.044	2	111.3540	0.044	2	111.3540	0.044	2	116.3389	9.184	10	116.3389	9.184	10
466	474	880	0:SP3_SP3_SP3	C[6]	C[5,6]	Si	4:4:4:1:	4:4:4:4:	4:3:4:4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[6]-4:C[6a]-3:C-4:C-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3)	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	121.2080	0.000	1	119.2720	2.811	3	119.2720	2.811	3	119.2720	2.811	3	116.3389	9.184	10	116.3389	9.184	10
466	474	880	0:SP3_SP3_SP3	C[6]	C[5,6]	Si	4:4:4:1:	4:4:4:4:	4:3:4:4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C[6]-4:C[6a]-3:C-4:C-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3)	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3){3|H<1>,4|C<4>}	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	118.3040	0.000	2	119.2720	2.811	3	119.2720	2.811	3	119.2720	2.811	3	116.3389	9.184	10	116.3389	9.184	10
466	474	893	0:SP3_SP2_SP3	C[6,6]	C[5,3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5,3x6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	109.5135	3.751	2	109.5135	14.072	2	111.3530	17.187	3	111.4917	11.535	4	111.4917	11.535	4	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6,6]	C[5,3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,3x6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,8|H<1>}	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	115.0320	0.000	1	115.0320	0.000	1	111.3530	17.187	3	111.4917	11.535	4	111.4917	11.535	4	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6,6]	C[5,3x6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[5,3x6]C[3x6]H)(CC[6a]O)	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,3x6](C[5,5,6]C[5,5,6,6]N[5,6]H)(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	O(C[6,6]C[5,3x6]C[3x6]H)(CC[6a]O)	111.9080	0.000	1	111.9080	0.000	1	111.9080	0.000	1	111.4917	11.535	4	111.4917	11.535	4	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C-3:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6,6]C[5,6]O[6]C)(OC)(H)	C[5,6,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HO)(CCHH)	O(C[6,6]C[5,6,6]C[6,6]H)(CCO)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6,6]C[5,6]O[6]C)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HO)(CCHH){1|O<2>,2|C<3>,4|C<4>}	O(C[6,6]C[5,6,6]C[6,6]H)(CCO)	108.7245	0.402	2	108.7245	0.162	2	108.7245	0.162	2	108.7245	0.162	2	104.0780	11.493	7	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H)	O(C[6,6]C[5,6,6]C[6]2)(CC[6a]O)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(OC){4|H<1>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2O)(H){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(CC[6a]O)	103.6030	1.373	2	103.6030	1.886	2	103.6030	1.886	2	102.2194	2.086	5	104.0780	11.493	7	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	101.4115	0.002	2	101.4115	0.000	2	101.2970	0.039	3	102.2194	2.086	5	104.0780	11.493	7	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,4|C<4>,4|H<1>,4|O<2>}	C[5,6,6](C[5,6]C[5,3x6]C[5]O)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	101.0680	0.000	1	101.0680	0.000	1	101.2970	0.039	3	102.2194	2.086	5	104.0780	11.493	7	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	108.2485	0.008	2	107.9930	0.196	3	107.9930	0.196	3	107.9930	0.196	3	107.9930	0.196	3	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OC){1|N<3>,4|C<4>,4|H<1>,4|O<2>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCO)	107.4820	0.000	1	107.9930	0.196	3	107.9930	0.196	3	107.9930	0.196	3	107.9930	0.196	3	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,5,6,6]	O	4:3:2:1:	4:4:4:3:	4:3:	C[5,5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6a]-3:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]HO)(C[5]O[5]O)	O(C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6,6a]HO)(C[5]O[5]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	O(C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]2)	112.2390	0.000	1	112.2390	0.000	1	112.2390	0.000	1	112.2390	0.000	1	109.2950	17.334	2	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,5,6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H)	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	O(C[6]C[5,5,6,6]C[6]H)(CCO)	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,3x6]C[5,5x6]C[6,6]H)(C[5,5,6]C[5,3x6]N[5,6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){1|C<3>,2|O<2>,4|H<1>,7|C<4>}	O(C[6]C[5,5,6,6]C[6]H)(CCO)	106.3510	0.000	1	106.3510	0.000	1	106.3510	0.000	1	106.3510	0.000	1	109.2950	17.334	2	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,5,6]	O	4:3:2:1:	3:4:4:4:	4:3:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HO)	O(C[6]C[5,5,6]C[6]H)(CCO)	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[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]HO){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[5,5,6]C[6]H)(CCO)	106.3930	0.000	1	106.3930	0.000	1	106.3930	0.000	1	106.3930	0.000	1	107.2644	1.142	5	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,5,6]	O	4:3:2:1:	4:2:4:4:	4:3:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[5,5]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H)	C[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	O(C[6]C[5,5,6]C[6]H)(CC[6a]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[5,5,6](C[5,5]C[5]2H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,8|H<1>}	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	106.0250	0.000	1	106.0250	0.000	1	106.0250	0.000	1	106.0250	0.000	1	107.2644	1.142	5	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,5,6]	O	4:4:2:1:	2:4:4:4:	4:3:	C[5,5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5,5]-4:C[5]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H)	C[5,5,6](O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[6]C[6]HO)	O(C[6]C[5,5,6]C[6]H)(CCO)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	C[5,5,6](O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[6]C[6]HO){2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,5,6]C[6]H)(CCO)	107.6665	0.493	2	107.6665	0.243	2	107.6665	0.243	2	107.6665	0.243	2	107.2644	1.142	5	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]HH)(OC)(H)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HO)(CH3)	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]HH)(OC)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HO)(CH3){2|C<4>,5|H<1>}	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	107.2644	1.142	5	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6,6]	O	4:3:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H)	C[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H)	O(C[6]C[5,6,6]C[6]H)(CCO)	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[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(CCO)	109.4655	2.969	2	109.4655	8.816	2	109.4655	8.816	2	109.4655	8.816	2	108.1749	4.381	16	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6,6]	O	4:3:2:1:	4:4:4:3:	4:3:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(OC)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)	O(C[6]C[5,6,6]C[6]H)(CCO)	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[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(CCO)	107.1460	0.000	1	107.1460	0.000	1	107.1460	0.000	1	107.1460	0.000	1	108.1749	4.381	16	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	3:3:4:4:	4:3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,2|C<4>,8|H<1>}	O(C[6]C[5,6,6]C[6]H)(CCO)	104.4240	0.000	1	104.4240	0.000	1	104.4240	0.000	1	104.4240	0.000	1	108.1749	4.381	16	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:3:4:3:	4:3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-3:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]O)(C[6]C[6]HO)(COO)	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]O)(C[6]C[6]HO)(COO){2|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	107.2025	0.697	2	107.2025	0.485	2	107.2025	0.485	2	107.2025	0.485	2	108.1749	4.381	16	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:2:3:	4:3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C[6]-3:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6,6]HO)(O[5]C[5,5,6])(C[6]C[6,6]C)	O(C[6]C[5,6,6]C[6,6]H)(CCO)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H){3|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6,6]HO)(O[5]C[5,5,6])(C[6]C[6,6]C){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	O(C[6]C[5,6,6]C[6,6]H)(CCO)	107.8930	0.000	1	107.8930	0.000	1	107.8930	0.000	1	107.8930	0.000	1	108.1749	4.381	16	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:3:3:	4:3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:C[5]-3:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O)	O(C[6]C[5,6,6]C[6,6]H)(CCO)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6,6]H)(CCO)	106.1360	0.000	1	106.1360	0.000	1	106.1360	0.000	1	106.1360	0.000	1	108.1749	4.381	16	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	O(C[6]C[5,6,6]C[5,6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[5,6]H)(CC[6a]O)	112.8400	0.000	1	112.8400	0.000	1	112.8400	0.000	1	109.2237	12.060	3	108.1749	4.381	16	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H)	O(C[6]C[5,6,6]C[6,6]H)(CCO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H){2|O<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]HO)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[5,6,6]C[6,6]H)(CCO)	105.9150	0.000	1	105.9150	0.000	1	105.9150	0.000	1	109.2237	12.060	3	108.1749	4.381	16	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6,6]C[6]H)(CNO)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(CNO)	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	109.2237	12.060	3	108.1749	4.381	16	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H)	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[6,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,2|O<2>,8|H<1>}	O(C[6]C[5,6,6]C[6]H)(CCO)	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	108.8384	0.553	5	108.1749	4.381	16	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[6]2O[5])(C[6]C[6]HO)(CH3)	O(C[6]C[5,6,6]C[6]H)(CCO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,3|C<3>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[6]2O[5])(C[6]C[6]HO)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6,6]C[6]H)(CCO)	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	108.8384	0.553	5	108.1749	4.381	16	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	108.3360	0.000	1	108.3360	0.000	1	108.3360	0.000	1	108.8384	0.553	5	108.1749	4.381	16	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H){1|O<2>,5|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)2(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,2|C<4>}	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	109.1330	1.335	2	109.1330	1.782	2	109.1330	1.782	2	108.8384	0.553	5	108.1749	4.381	16	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:3:4:1:	4:3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H)	C[5,6](C[6]C[6,6a]HO)(N[5,6]C[5,6]O)(C[5]C[5]HH)(H)	O(C[6]C[6,6a]C[5,6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6,6a]HO)(N[5,6]C[5,6]O)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6]H)(CC[6a]O)	112.1130	0.000	1	112.1130	0.000	1	112.1130	0.000	1	112.1130	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:3:1:	4:3:	C[5,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	O(C[6]C[5,6]2H)(CCO)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<3>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]2H)(CCO)	107.4760	0.000	1	107.4760	0.000	1	107.4760	0.000	1	107.4760	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:1:	4:3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	O(C[6]C[6,6a]C[5,6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6]H)(CCO)	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:2:	4:3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC)	O(C[6]C[6,6a]C[5,6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC){3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(CCO)	110.6620	0.000	1	110.6620	0.000	1	110.6620	0.000	1	110.6620	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:2:1:	4:3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H)	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]O[6]H)(CCO)	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]O[5,6]C[6])(C[6]O[6]HO)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6]O[6]H)(CCO)	104.9420	0.000	1	104.9420	0.000	1	104.9420	0.000	1	104.9420	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:3:1:	4:3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	O(C[6]C[5,6]O[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>}	O(C[6]C[5,6]O[6]H)(CCO)	105.9430	0.000	1	105.9430	0.000	1	105.9430	0.000	1	105.9430	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:4:4:	4:3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC[5])(H)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HO)(CH3)	O(C[6]C[5,6]O[6]H)(C[5]C[5]2)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC[5])(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HO)(CH3){1|C<4>,3|H<1>}	O(C[6]C[5,6]O[6]H)(C[5]C[5]2)	107.6170	0.000	1	107.6170	0.000	1	107.6170	0.000	1	107.6170	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:3:2:1:	2:3:4:1:	4:3:	C[5,6]-4:C[6]-3:O-2:H-1:	O[5,6]-2:C[5]-3:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]C)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]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[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]C)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	105.4950	0.000	1	105.4950	0.000	1	105.4950	0.000	1	105.4950	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:3:2:1:	2:4:4:1:	4:3:	C[5,6]-4:C[6]-3:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]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[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:3:2:1:	3:4:3:4:	4:3:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)(C[5]C[5,5]O)(CH3)	O(C[6]C[5,6]C[6,6]H)(CCO)	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[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6,6]H)(CCO)	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:2:4:1:	4:3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	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[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	110.6755	0.083	2	110.6755	0.007	2	110.9397	0.213	3	110.9397	0.213	3	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:2:4:1:	4:3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]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[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	111.4680	0.000	1	111.4680	0.000	1	110.9397	0.213	3	110.9397	0.213	3	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:3:4:1:	4:3:	C[5,6]-4:N[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H)	O(C[6]C[5,6]N[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H){1|N<3>,4|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	O(C[6]C[5,6]N[6]H)(CCO)	110.9040	0.000	1	110.9040	0.000	1	110.9040	0.000	1	110.9040	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CCO)	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[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	108.6430	0.000	1	108.6430	0.000	1	108.6430	0.000	1	108.6430	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:2:	4:3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[6]-4:C-3:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OC)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5])	O(C[6]C[5,6]C[6]H)(CC[6a]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[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	105.9950	0.000	1	105.9950	0.000	1	105.9950	0.000	1	105.9950	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)(H)	O(C[6]C[5,6]C[6]H)(CCO)	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[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	112.0690	1.195	2	112.0690	1.428	2	112.0690	1.428	2	112.0690	1.428	2	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:2:	4:3:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[6]-4:C-3:	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	O(C[6]C[5,6]C[6,6]H)(CC[6a]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[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	110.2390	1.464	2	110.2390	2.142	2	110.2390	2.142	2	110.2390	2.142	2	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:4:	4:3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	O(C[6]C[5,6]C[6]H)(CCO)	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[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	106.7380	0.000	1	106.7380	0.000	1	106.7380	0.000	1	106.7380	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	O(C[6]C[5,6]C[6]H)(CCO)	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[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	108.1010	1.110	2	108.1010	1.232	2	107.1873	1.604	4	107.1873	1.604	4	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	O(C[6]C[5,6]C[6]H)(CC[6a]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[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	106.2735	0.489	2	106.2735	0.239	2	107.1873	1.604	4	107.1873	1.604	4	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:3:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5]-3:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	106.3375	2.353	2	106.3375	5.534	2	106.3375	5.534	2	106.3375	5.534	2	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:3:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[6]-4:C-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	105.9120	0.000	1	105.9120	0.000	1	107.7847	4.968	3	107.7847	4.968	3	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	108.7210	2.162	2	108.7210	4.676	2	107.7847	4.968	3	107.7847	4.968	3	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:3:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	111.3170	0.940	4	111.3170	0.883	4	111.3170	0.883	4	111.3170	0.883	4	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:3:4:2:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6a]C[5,6a]O)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)(OH)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6,6a]C[5,6a]O)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)(OH){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	107.2125	0.151	2	107.2125	0.023	2	107.2125	0.023	2	107.2125	0.023	2	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	108.0650	0.000	1	108.0650	0.000	1	108.8255	1.157	2	108.5973	0.576	4	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	109.5860	0.000	1	109.5860	0.000	1	108.8255	1.157	2	108.5973	0.576	4	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	107.9430	0.000	1	107.9430	0.000	1	108.3690	0.363	2	108.5973	0.576	4	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(CH3){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	108.7950	0.000	1	108.7950	0.000	1	108.3690	0.363	2	108.5973	0.576	4	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[3,5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(N[5,6]C[5,6]C[6])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[3,5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(N[5,6]C[5,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	111.6025	1.129	2	111.6025	1.275	2	111.6025	1.275	2	108.7965	5.537	6	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H){1|S<4>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,8|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	107.5150	0.000	1	107.5150	0.000	1	107.5150	0.000	1	108.7965	5.537	6	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]C)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|C<3>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	106.8830	1.202	2	106.8830	1.445	2	107.3530	1.385	3	108.7965	5.537	6	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:3:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	108.2930	0.000	1	108.2930	0.000	1	107.3530	1.385	3	108.7965	5.537	6	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:3:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5])(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5])(C[6]C[6]HO)(CH3){1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	106.4780	0.000	1	106.4780	0.000	1	106.4780	0.000	1	107.7625	3.300	2	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:3:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	109.0470	0.000	1	109.0470	0.000	1	109.0470	0.000	1	107.7625	3.300	2	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]2H)(CC[6a]O)	109.5065	1.999	2	109.2895	1.916	10	109.2895	1.916	10	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]2H)(CC[6a]O)	107.6940	0.805	2	109.2895	1.916	10	109.2895	1.916	10	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]2H)(CC[6a]O)	109.7490	1.109	6	109.2895	1.916	10	109.2895	1.916	10	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6,6]H)(CCO)	106.6110	0.000	1	108.9245	10.705	2	108.9245	10.705	2	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<4>}	O(C[6]C[5,6]C[6,6]H)(CCO)	111.2380	0.000	1	108.9245	10.705	2	108.9245	10.705	2	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6]HO)(N[5]C[5])(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6]HO)(N[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6,6]H)(CCO)	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6,6]H)(CCO)	106.0930	0.000	1	106.0930	0.000	1	106.0930	0.000	1	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	105.7010	0.000	1	105.7010	0.000	1	105.7585	0.007	2	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	105.8160	0.000	1	105.8160	0.000	1	105.7585	0.007	2	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	107.9560	0.000	1	107.9560	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	106.2220	0.000	1	106.2220	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	O(C[6]C[5,6]C[6]H)(CC[5,5,6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[5,5,6]O)	104.0435	0.334	2	104.0435	0.112	2	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	109.1022	1.282	5	109.1022	1.643	5	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	110.3477	1.061	6	110.3477	1.127	6	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	110.0560	0.000	1	110.0560	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	109.1000	0.000	1	109.1000	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	110.6400	0.000	1	110.6400	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	106.4890	0.000	1	106.4890	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	108.5260	0.000	1	108.5260	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	108.5215	1.554	2	108.5215	2.413	2	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	111.0080	0.000	1	111.0080	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	105.6020	0.000	1	105.6020	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CNO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CNO)	107.0930	0.000	1	107.0930	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CNO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CNO)	108.2510	0.000	1	108.2510	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H){1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,2|O<2>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	109.1580	0.000	1	109.1580	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	109.3280	0.000	1	109.3280	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	105.8030	0.000	1	105.8030	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	105.5020	0.000	1	105.5020	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CNO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CNO)	109.3515	0.282	2	109.3515	0.080	2	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CSS)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CSS)	105.6710	0.000	1	105.6710	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CHO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|P<4>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CHO)	107.0420	0.000	1	107.0420	0.000	1	108.3787	4.209	34	108.4433	3.976	50	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:C-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO)	O(C[6]C[5,6,6]C[5,6]H)(CC[6a]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO){1|H<1>,1|O<1>,4|C<4>}	O(C[6]C[5,6,6]C[5,6]H)(CC[6a]O)	106.6650	0.000	1	106.6650	0.000	1	106.6650	0.000	1	105.8740	1.251	2	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH){1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	105.0830	0.000	1	105.0830	0.000	1	105.0830	0.000	1	105.8740	1.251	2	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6,6]H)(CCO)	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	107.8348	4.179	6	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	105.8460	0.000	1	105.8460	0.000	1	107.7945	7.593	2	107.8348	4.179	6	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(C[5]O[5]O)(H){3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	109.7430	0.000	1	109.7430	0.000	1	107.7945	7.593	2	107.8348	4.179	6	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(CCO)	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	107.8348	4.179	6	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	105.6830	0.000	1	105.6830	0.000	1	106.9320	3.120	2	107.8348	4.179	6	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<2>}	O(C[6]C[5,6]C[6]H)(CCO)	108.1810	0.000	1	108.1810	0.000	1	106.9320	3.120	2	107.8348	4.179	6	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:2:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH)	O(C[6]C[5,6]2H)(CCO)	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H){1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[5,6]2H)(CCO)	113.2690	0.000	1	113.2690	0.000	1	113.2690	0.000	1	113.2690	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:3:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(C[5]O[5]O)(COO)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(C[5]O[5]O)(COO){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	107.0190	0.754	2	107.0190	0.568	2	107.0190	0.568	2	107.1685	0.818	4	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:3:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-3:N[5]-3:	C[6]-4:C-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[5]C[5]C)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	108.2660	0.000	1	108.2660	0.000	1	108.2660	0.000	1	107.1685	0.818	4	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:3:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C-3:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O){5|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	106.3700	0.000	1	106.3700	0.000	1	106.3700	0.000	1	107.1685	0.818	4	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	103.7750	0.000	1	103.7750	0.000	1	103.7750	0.000	1	103.7750	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H)	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	109.3635	6.172	21	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	109.9425	0.342	2	109.9425	0.117	2	109.9425	0.117	2	109.3635	6.172	21	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	108.9260	0.000	1	108.9260	0.000	1	109.4223	6.922	18	109.3635	6.172	21	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	109.9050	0.000	1	109.8480	0.006	2	109.4223	6.922	18	109.3635	6.172	21	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	109.7910	0.000	1	109.8480	0.006	2	109.4223	6.922	18	109.3635	6.172	21	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	109.6913	2.727	7	109.6913	7.437	7	109.4223	6.922	18	109.3635	6.172	21	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	109.2975	0.088	2	109.2975	0.008	2	109.4223	6.922	18	109.3635	6.172	21	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H){4|H<1>,7|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	102.0280	0.000	1	102.0280	0.000	1	109.4223	6.922	18	109.3635	6.172	21	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	107.5410	0.000	1	107.5410	0.000	1	109.4223	6.922	18	109.3635	6.172	21	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	111.2442	0.367	4	111.2442	0.135	4	109.4223	6.922	18	109.3635	6.172	21	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH)	O(C[6]C[5,6]2H)(CCO)	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H){1|C<3>,1|H<1>,2|O<2>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6]2H)(CCO)	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	107.2417	4.630	8	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH){3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	106.5520	1.214	6	106.5520	1.473	6	106.5733	1.231	7	107.2417	4.630	8	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC){1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	106.7010	0.000	1	106.7010	0.000	1	106.5733	1.231	7	107.2417	4.630	8	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CHO)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CHO){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	103.3220	0.000	1	103.3220	0.000	1	103.3220	0.000	1	105.9507	10.653	3	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5]O[5]HH)(C[6]C[6]HO)(C[5]C[5]O)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]C)(C[5]O[5]HH)(C[6]C[6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	104.9260	0.000	1	104.9260	0.000	1	104.9260	0.000	1	105.9507	10.653	3	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[6]-4:C-3:	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H)	C[5,6](C[5]C[5]HH)2(C[6]C[6]HO)(N[6]C[6]C)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]HO)(N[6]C[6]C){1|C<4>,3|O<2>,5|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	105.9507	10.653	3	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HO)(C[5]O[5]CH)(CH3)	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HO)(C[5]O[5]CH)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	112.4640	0.000	1	112.4640	0.000	1	112.4640	0.000	1	108.8053	4.986	20	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CCHH)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	108.6080	0.000	1	108.6080	0.000	1	110.3583	2.378	3	108.8053	4.986	20	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	111.2335	0.400	2	111.2335	0.160	2	110.3583	2.378	3	108.8053	4.986	20	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	109.4557	2.714	3	109.4557	7.366	3	109.4557	7.366	3	108.8053	4.986	20	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	112.1450	0.000	1	112.1450	0.000	1	108.0153	3.770	13	108.8053	4.986	20	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	108.3900	1.434	4	108.3900	2.057	4	108.0153	3.770	13	108.8053	4.986	20	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CHO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(CHO)	107.5270	0.000	1	107.5270	0.000	1	108.0153	3.770	13	108.8053	4.986	20	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	106.0950	0.000	1	106.0950	0.000	1	108.0153	3.770	13	108.8053	4.986	20	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	105.3835	1.112	2	105.3835	1.237	2	108.0153	3.770	13	108.8053	4.986	20	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	107.5520	0.000	1	108.0640	0.524	2	108.0153	3.770	13	108.8053	4.986	20	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	108.5760	0.000	1	108.0640	0.524	2	108.0153	3.770	13	108.8053	4.986	20	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CCO)	108.9885	0.093	2	108.9885	0.009	2	108.0153	3.770	13	108.8053	4.986	20	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:4:2:	3:4:4:4:	4:3:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CO)(CH3)	O(C[6]C[5,6]C[6]C)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CO)(CH3){1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]C)(CCO)	102.6900	0.000	1	102.6900	0.000	1	102.6900	0.000	1	102.6900	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H)	O(C[6]C[5,6]C[6]C)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]CO)(O[5]C[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]C)(O)	100.7270	0.000	1	100.7270	0.000	1	100.7270	0.000	1	100.7270	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]C)(CCO)	99.8978	0.000	1	99.8978	0.000	1	99.8978	0.000	1	99.8978	0.000	1	108.3572	5.974	170	108.2422	6.646	208
466	474	893	0:SP3_SP2_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:3:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC)	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	O(C[6]C[5]C[6]2)(CCO)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	O(C[6]C[5]C[6]2)(CCO)	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	108.2422	6.646	208
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:3:2:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	107.9810	0.000	1	107.9810	0.000	1	111.2193	7.662	6	111.2193	7.662	6	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	113.9355	0.388	2	111.8670	6.431	5	111.2193	7.662	6	111.2193	7.662	6	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	109.1340	0.000	1	111.8670	6.431	5	111.2193	7.662	6	111.2193	7.662	6	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-3:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	111.1650	2.926	2	111.8670	6.431	5	111.2193	7.662	6	111.2193	7.662	6	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	113.9570	0.000	1	111.8295	6.717	4	112.2258	5.823	5	112.2258	5.823	5	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO)	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HO){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	111.1203	2.657	3	111.8295	6.717	4	112.2258	5.823	5	112.2258	5.823	5	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:2:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:C[5,6]-4:C[5]-4:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO)	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]HO){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	113.8110	0.000	1	113.8110	0.000	1	112.2258	5.823	5	112.2258	5.823	5	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[3x6]-4: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]HH)(OH)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	O(C[3x6]C[5,3x6]C[6,6]C[6])(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]HH)(OH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	111.3130	0.000	1	111.1923	0.011	3	109.3073	4.055	10	109.3073	4.055	10	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[3x6]-4: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]HH)(OH)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	O(C[3x6]C[5,3x6]C[6,6]C[6])(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]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	111.1320	0.025	2	111.1923	0.011	3	109.3073	4.055	10	109.3073	4.055	10	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[3x6]-4: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]HH)(OH)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	O(C[3x6]C[5,3x6]C[6,6]C[6])(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]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	111.5340	0.000	1	108.4994	3.540	7	109.3073	4.055	10	109.3073	4.055	10	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[3x6]-4: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]HH)(OH)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	O(C[3x6]C[5,3x6]C[6,6]C[6])(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]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	108.0730	0.000	1	108.4994	3.540	7	109.3073	4.055	10	109.3073	4.055	10	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[3x6]-4: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]HH)(OH)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	O(C[3x6]C[5,3x6]C[6,6]C[6])(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]HH)(OH){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	110.8140	0.000	1	108.4994	3.540	7	109.3073	4.055	10	109.3073	4.055	10	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[3x6]-4: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]HH)(OH)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	O(C[3x6]C[5,3x6]C[6,6]C[6])(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]HH)(OH){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	107.3290	0.325	2	108.4994	3.540	7	109.3073	4.055	10	109.3073	4.055	10	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[3x6]-4: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]HH)(OH)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	O(C[3x6]C[5,3x6]C[6,6]C[6])(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]HH)(OH){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	107.2085	0.562	2	108.4994	3.540	7	109.3073	4.055	10	109.3073	4.055	10	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,3x6]	O	4:4:4:2:	4:4:4:4:	4:4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[3x6]-4:Si-4:	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi)	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH)	O(C[3x6]C[5,3x6]C[6,6]2)(SiC3)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi){10|H<1>,1|C<3>,4|C<4>}	C[5,3x6](C[5,6]C[3,5,6]HH)2(C[3x6]C[6,6]2O)(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	O(C[3x6]C[5,3x6]C[6,6]2)(SiC3)	103.5050	0.000	1	103.5050	0.000	1	103.5050	0.000	1	103.5050	0.000	1	110.2695	8.113	23	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,4x6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[5,4x6]-4:C[6,6]-4:O[6]-2:O-2:	C[5,5,3x6]-4:C[3x6]-4:C[6,6]-4:N[5]-3:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,5,3x6]C[6,6]N[5])(C[6,6]C[4x6]HH)(O[6]C[6])(OH)	C[5,4x6](C[5,5,3x6]C[5,3x6]C[5,6a]C[5,6])(C[3x6]C[6,6]O[6]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	O(C[3x6]C[5,4x6]C[6,6]O[6])(H)	C[3x6](C[5,4x6]C[5,5,3x6]C[6,6]N[5])(C[6,6]C[4x6]HH)(O[6]C[6])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5,4x6](C[5,5,3x6]C[5,3x6]C[5,6a]C[5,6])(C[3x6]C[6,6]O[6]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	O(C[3x6]C[5,4x6]C[6,6]O[6])(H)	115.9370	0.000	1	115.9370	0.000	1	115.9370	0.000	1	115.9370	0.000	1	107.2469	12.949	8	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,4x6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,4x6]-4:C[6,6]-4:N[6]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:C[6]-4:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH)	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH)	O(C[3x6]C[5,4x6]C[6,6]N[6])(H)	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH){1|C<3>,5|C<4>,6|H<1>}	C[5,4x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]N[6]O)(C[6]C[6]HH){10|H<1>,1|O<1>,3|C<4>}	O(C[3x6]C[5,4x6]C[6,6]N[6])(H)	106.1760	0.000	1	106.1760	0.000	1	106.1760	0.000	1	106.1760	0.000	1	107.2469	12.949	8	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,4x6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[5,4x6](C[5,6,6]C[4x6]N[5])(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|N<2>,6|H<1>,7|C<4>}	C[5,4x6](C[5,6,6]C[4x6]N[5])(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,4|C<4>}	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	105.4567	0.534	3	105.4567	0.285	3	105.4567	0.285	3	105.4567	0.285	3	107.2469	12.949	8	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,4x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){10|H<1>,1|S<4>,4|C<4>}	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	106.2420	0.000	1	106.2420	0.000	1	106.4973	1.055	3	106.4973	1.055	3	107.2469	12.949	8	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,4x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	C[5,4x6](C[5,6,6]C[4x6]O[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH){1|O<1>,4|C<4>,8|H<1>}	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	105.6220	0.000	1	105.6220	0.000	1	106.4973	1.055	3	106.4973	1.055	3	107.2469	12.949	8	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,4x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[3x6]-4:C[5,6]-4:C[6,6]-4:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH)	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	C[5,4x6](C[5,6,6]C[4x6]N[5]H)(C[3x6]C[4x6]C[6]O)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	107.6280	0.000	1	107.6280	0.000	1	106.4973	1.055	3	106.4973	1.055	3	107.2469	12.949	8	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	3:3:4:2:	4:4:3:1:	4:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	O(C[3x6]C[6,6,6a]2C[5,6,6])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	O(C[3x6]C[6,6,6a]2C[5,6,6])(H)	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	3:3:4:2:	4:4:3:1:	4:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	114.9685	0.998	2	114.9685	0.995	2	114.9685	0.995	2	114.9685	0.995	2	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	3:3:4:2:	4:4:4:1:	4:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[3x6]-4:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H)	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	114.6700	0.141	2	114.6700	0.020	2	114.6700	0.020	2	114.6700	0.020	2	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:3:3:2:	4:4:3:1:	4:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(H)	113.5980	0.737	2	113.5980	0.543	2	113.5980	0.543	2	113.5980	0.543	2	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:2:2:	4:4:3:4:	4:1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[3x6]-4:H-1:	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	113.2130	0.943	3	113.2130	0.889	3	113.1458	0.611	4	113.1458	0.611	4	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:2:2:	4:4:3:4:	4:1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[3x6]-4:H-1:	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(OH)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	112.9440	0.000	1	112.9440	0.000	1	113.1458	0.611	4	113.1458	0.611	4	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:3:2:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<4>,4|C<3>,4|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	114.5845	0.537	2	114.5845	0.288	2	112.6040	17.616	5	112.6040	17.616	5	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:3:2:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,1|C<2>,3|C<3>,3|C<4>,3|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	112.9690	0.000	1	112.9690	0.000	1	112.6040	17.616	5	112.6040	17.616	5	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:3:2:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,3|C<3>,3|C<4>,4|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	110.4410	7.269	2	110.4410	52.839	2	112.6040	17.616	5	112.6040	17.616	5	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:3:2:	4:4:2:2:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:S[5]-2:S[5]-2:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[6,6]S[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[5,6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(S[5]C[5])2	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[6,6]S[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){3|C<4>,5|H<1>}	C[5,6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(S[5]C[5])2{1|C<3>,1|C<4>,8|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	106.6965	0.086	2	106.6965	0.007	2	106.6965	0.007	2	106.6965	0.007	2	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:3:2:	4:4:2:4:	4:1:	C[5,6,6]-4:C[3x6]-4:C[6]-3:O-2:	C[3x6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[3x6]-4:H-1:	C[3x6](C[5,6,6]C[5,6]O[5,6]C)(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]O)(OH)	C[5,6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[6]O[5]O)(O[5,6]C[5,6])(CH3)	O(C[3x6]C[5,6,6]C[3x6]C[6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]C)(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]O)(OH){2|H<1>,3|O<2>,5|C<4>}	C[5,6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[6]O[5]O)(O[5,6]C[5,6])(CH3){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	O(C[3x6]C[5,6,6]C[3x6]C[6])(H)	108.6075	0.247	2	108.6075	0.061	2	108.6075	0.061	2	108.6075	0.061	2	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:3:2:	4:4:2:4:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,4x6]-4:C[3x6]-4:O[5]-2:C-4:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,4x6]O[5]C)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]C)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH){3|C<4>,4|C<3>,4|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	113.4720	0.000	1	113.4720	0.000	1	113.4720	0.000	1	113.4720	0.000	1	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:3:2:	4:4:3:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:C-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)(OC)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	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)(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	114.4400	0.000	1	114.4400	0.000	1	111.9985	6.702	6	111.9985	6.702	6	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:3:2:	4:4:3:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:C-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)(OC)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	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)(OC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	112.8460	0.000	1	112.9080	0.008	2	111.9985	6.702	6	111.9985	6.702	6	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:3:2:	4:4:3:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:C-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)(OC)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	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)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]O[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	112.9700	0.000	1	112.9080	0.008	2	111.9985	6.702	6	111.9985	6.702	6	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:3:2:	4:4:3:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:C-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)(OC)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	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)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|W<7>,2|C<4>,3|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	112.3965	0.062	2	112.3965	0.004	2	111.9985	6.702	6	111.9985	6.702	6	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:3:2:	4:4:3:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	106.9420	0.000	1	106.9420	0.000	1	111.9985	6.702	6	111.9985	6.702	6	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH)	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H)	O(C[3x6]C[5,6,6]C[6,6]2)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH){1|N<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(H)	108.6040	0.000	1	108.6040	0.000	1	108.6040	0.000	1	108.6040	0.000	1	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:4:2:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<3>,4|C<4>,5|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	111.7950	0.000	1	111.7950	0.000	1	113.1460	4.489	5	112.9130	3.917	6	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:4:2:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	113.4838	2.286	4	113.4838	5.225	4	113.1460	4.489	5	112.9130	3.917	6	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[3x6]	C[5,6,6]	O	4:4:4:2:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[3x6]-4:C-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC)	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H)	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H){1|Br<1>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	111.7480	0.000	1	111.7480	0.000	1	111.7480	0.000	1	112.9130	3.917	6	112.2450	8.092	34	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[4x6]	C[5,3x6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,3x6]-4:C[4x6]-4:C[3x6]-4:O-2:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:H-1:	C[4x6]-4:H-1:	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH)	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H)	O(C[4x6]C[5,3x6]C[3x6]C[4x6])(H)	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH){1|N<3>,6|H<1>,7|C<4>}	C[5,3x6](C[5,3x6]N[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[4x6]O)(C[5,6]C[5]C[6]C)(H){4|C<4>,8|H<1>}	O(C[4x6]C[5,3x6]C[3x6]C[4x6])(H)	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[4x6]	C[5,5x6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[5,5x6]-4:C[6,6]-4:O[3x6]-2:O-2:	C[5,3x6]-4:C[4x6]-4:C[4x6]-4:C[5]-3:	C[4x6]-4:H-1:	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH)	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O)	O(C[4x6]C[5,5x6]C[6,6]O[3x6])(H)	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O){2|O<2>,4|H<1>,5|C<4>}	O(C[4x6]C[5,5x6]C[6,6]O[3x6])(H)	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,3x6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,3x6]-4:O[6,6]-2:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H)	O(C[6,6]C[5,3x6]O[6,6]H)(CCHH)	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6,6]C[5,3x6]O[6,6]H)(CCHH)	108.8710	0.000	1	108.8710	0.000	1	108.8710	0.000	1	108.8710	0.000	1	110.7168	10.939	14	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,3x6]	O	4:3:2:1:	4:4:4:3:	4:1:	C[5,3x6]-4:C[6,6]-3:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C)	O(C[6,6]C[5,3x6]C[6,6]H)(H)	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[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	O(C[6,6]C[5,3x6]C[6,6]H)(H)	112.5025	4.093	2	112.5025	16.756	2	112.5025	16.756	2	112.5025	16.756	2	110.7168	10.939	14	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,3x6]	O	4:3:2:2:	4:4:3:3:	4:4:	C[5,3x6]-4:C[6,6]-3:O-2:O-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-3:	C[6,6]-4:C-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(OC)2	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C)	O(C[6,6]C[5,3x6]C[6,6]O)(CH3)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(OC)2{2|C<4>,3|C<3>,3|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C){1|C<4>,2|O<1>,4|H<1>}	O(C[6,6]C[5,3x6]C[6,6]O)(CH3)	111.0345	4.994	4	111.0345	24.936	4	111.0345	24.936	4	111.0345	24.936	4	110.7168	10.939	14	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,3x6]	O	4:3:4:2:	4:4:4:1:	4:2:	C[5,3x6]-4:C[3x6]-3:C-4:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:O-2:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H)	O(C[6,6]C[5,3x6]C[3x6]C)(OH)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(CH3)(OO){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[3x6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6,6]C[5,3x6]C[3x6]C)(OH)	111.4120	0.000	1	111.4120	0.000	1	111.4120	0.000	1	111.4120	0.000	1	110.7168	10.939	14	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,3x6]	O	4:4:2:1:	4:4:3:4:	4:4:	C[5,3x6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-4:	C[6,6]-4:S-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH)	O(C[6,6]C[5,3x6]C[6,6]H)(SC[6a]OO)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,6|H<1>}	O(C[6,6]C[5,3x6]C[6,6]H)(SC[6a]OO)	106.4140	0.000	1	106.4140	0.000	1	106.4140	0.000	1	106.4140	0.000	1	110.7168	10.939	14	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,3x6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H)	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[5,3x6]C[3x6]H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|C<3>,2|H<1>,6|C<4>}	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HO)(H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,9|H<1>}	O(C[6,6]C[5,3x6]C[3x6]H)(H)	110.7740	0.000	2	110.7740	0.000	2	110.7740	0.000	2	110.7740	0.000	2	110.7168	10.939	14	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,3x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	O(C[6,6]C[5,3x6]C[5,6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	O(C[6,6]C[5,3x6]C[5,6,6]H)(H)	114.5210	0.000	1	114.5210	0.000	1	114.5210	0.000	1	114.5210	0.000	1	110.7168	10.939	14	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,3x6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH)	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH)	O(C[6,6]C[5,3x6]C[6]2)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2O)(C[5]O[5]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[5,3x6]C[6]2)(H)	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	110.7168	10.939	14	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,3x6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,3x6]-4:C[3,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH)	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	O(C[6,6]C[5,3x6]C[3,6]C[6])(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH){1|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[3,6]C[6]O)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	O(C[6,6]C[5,3x6]C[3,6]C[6])(H)	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	110.7168	10.939	14	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,4x6]	O	4:3:2:2:	4:4:4:3:	4:4:	C[5,4x6]-4:C[6,6]-3:O-2:O-2:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:C-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]O)(OC)2	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)	O(C[6,6]C[5,4x6]C[6,6]O)(CH3)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]O)(OC)2{1|C<3>,4|C<4>,4|H<1>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	O(C[6,6]C[5,4x6]C[6,6]O)(CH3)	112.5115	4.381	2	112.5115	19.189	2	112.5115	19.189	2	112.5115	19.189	2	111.9878	13.335	4	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,4x6]	O	4:4:2:2:	4:4:4:3:	4:4:	C[5,4x6]-4:C[3,6,6]-4:O-2:O-2:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:C-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(OC)2	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H)	O(C[6,6]C[3,6,6]C[5,4x6]O)(CH3)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(OC)2{1|C<3>,4|C<4>,6|H<1>}	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]OO)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	O(C[6,6]C[3,6,6]C[5,4x6]O)(CH3)	111.4640	4.441	2	111.4640	19.719	2	111.4640	19.719	2	111.4640	19.719	2	111.9878	13.335	4	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,5,6,6]	O	4:4:2:2:	4:4:3:4:	4:1:	C[5,5,6,6]-4:C[3x6]-4:C-2:O-2:	C[5,3x6]-4:C[6,6]-4:N[5,5]-3:C[5]-4:	C[6,6]-4:H-1:	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(N[5,5]C[5]S[5])(C[5]C[5]HH)	O(C[6,6]C[5,5,6,6]C[3x6]C)(H)	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(N[5,5]C[5]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<1>,7|H<1>}	O(C[6,6]C[5,5,6,6]C[3x6]C)(H)	110.5370	0.000	1	110.5370	0.000	1	110.5370	0.000	1	110.5370	0.000	1	110.5370	0.000	1	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,5x6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,5x6]-4:C[6,6]-3:O-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:H-1:	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H)	C[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO)	O(C[6,6]C[5,5x6]C[6,6]H)(H)	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[5,5x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	O(C[6,6]C[5,5x6]C[6,6]H)(H)	107.8640	0.000	2	107.8640	0.000	2	107.8640	0.000	2	107.8640	0.000	2	107.7137	0.068	3	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,5x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:H-1:	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H)	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH)	O(C[6,6]C[5,5x6]C[5,6,6]H)(H)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,5x6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[5,3x6]C[5,5,6]C[6,6]H)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	O(C[6,6]C[5,5x6]C[5,6,6]H)(H)	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	107.7137	0.068	3	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:3:2:1:	4:3:4:4:	4:1:	C[5,6,6]-4:C[6,6]-3:O-2:H-1:	C[5,6,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[6,6]-4:H-1:	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[5,6,6](C[5,6,6]C[3,5,6]C[6]2)(C[5,6]C[3,5,6]O)(C[6,6]C[6,6]HO)(CH3)	O(C[6,6]C[5,6,6]C[6,6]H)(H)	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[5,6,6](C[5,6,6]C[3,5,6]C[6]2)(C[5,6]C[3,5,6]O)(C[6,6]C[6,6]HO)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O(C[6,6]C[5,6,6]C[6,6]H)(H)	107.7180	0.000	1	107.7180	0.000	1	107.7180	0.000	1	107.7180	0.000	1	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:3:2:2:	4:3:4:1:	4:4:	C[5,6,6]-4:C[6]-3:O[6]-2:O-2:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]H)(O[6]C[6])(OC)	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H)	O(C[6,6]C[5,6,6]C[6]O[6])(CH3)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]H)(O[6]C[6])(OC){2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	O(C[6,6]C[5,6,6]C[6]O[6])(CH3)	103.7290	0.000	1	103.7290	0.000	1	103.7290	0.000	1	103.7290	0.000	1	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:3:3:2:	3:4:4:1:	4:1:	C[5,6,6]-4:C[6]-3:C[6]-3:O-2:	N[5,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH)	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2O)(H)	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2O)(H){1|H<1>,3|C<3>,3|O<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	107.6110	0.000	1	107.6110	0.000	1	107.6110	0.000	1	107.6110	0.000	1	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:3:4:2:	4:4:4:3:	4:1:	C[5,6,6]-4:N[5,6]-3:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O)	O(C[6,6]C[5,6,6]N[5,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[5,6,6]N[5,6]C[6])(H)	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	111.2020	0.000	1	111.2020	0.000	1	110.5620	0.352	5	110.5620	0.352	5	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	110.2710	0.059	2	110.4020	0.299	4	110.5620	0.352	5	110.5620	0.352	5	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){3|O<2>,4|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	110.5330	0.908	2	110.4020	0.299	4	110.5620	0.352	5	110.5620	0.352	5	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	O(C[6,6]C[5,6,6]C[6,6]H)(H)	109.1122	2.867	5	109.1122	8.221	5	109.1122	8.221	5	109.1122	8.221	5	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H){4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HO)(O[5]C[5,6])(H){1|C<3>,2|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	109.7390	0.000	1	109.7390	0.000	1	109.7390	0.000	1	109.7390	0.000	1	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[5,3x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[6,6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH)	O(C[6,6]C[5,3x6]C[5,6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	O(C[6,6]C[5,3x6]C[5,6,6]H)(H)	109.1020	0.000	1	109.1020	0.000	1	109.1020	0.000	1	109.1020	0.000	1	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:1:	4:4:2:2:	4:4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	C[6,6]-4:C-4:	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HO)(O[5]C[5])(OC)	O(C[6,6]C[5,6,6]C[3x6]H)(CH3)	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H){4|C<4>,4|H<1>}	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HO)(O[5]C[5])(OC){4|C<4>,4|H<1>}	O(C[6,6]C[5,6,6]C[3x6]H)(CH3)	110.0860	0.000	1	110.0860	0.000	1	110.0860	0.000	1	110.0860	0.000	1	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H)	C[5,6,6](C[4,5,6,6]C[4,5,6]C[4,6]O)(C[6,6]C[6,6]HO)(O[5]C[5])(CH3)	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6,6](C[4,5,6,6]C[4,5,6]C[4,6]O)(C[6,6]C[6,6]HO)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	O(C[6,6]C[5,6,6]C[6,6]H)(H)	112.1580	0.000	1	112.1580	0.000	1	112.1580	0.000	1	112.1580	0.000	1	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[3x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H)	C[5,6,6](C[5,3x6]C[3,6,6]N[6,6]C[5])(C[6,6]C[3x6]HO)(N[5]C[5]C)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[3,6,6]N[6,6]C[5])(C[6,6]C[3x6]HO)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	109.5250	0.000	1	109.5250	0.000	1	109.5250	0.000	1	111.3177	14.834	6	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,5x6]-4:C[5,6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H)	O(C[6,6]C[5,5x6]C[5,6,6]H)(H)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H){1|C<3>,5|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6,6]C[5,5x6]C[5,6,6]H)(H)	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	111.3177	14.834	6	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H)	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]HO)(C[5]O[5]O)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]HO)(C[5]O[5]O)(H){1|C<3>,2|H<1>,6|C<4>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	113.9777	0.341	3	113.9777	0.116	3	113.9777	0.116	3	111.3177	14.834	6	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H)	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H){1|O<1>,4|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[6,6]H)(H)	104.3280	0.000	1	104.3280	0.000	1	104.3280	0.000	1	111.3177	14.834	6	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:C[5]-3:O[5]-2:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H)	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(C[5]C[5]O)(O[5]C[5])	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(C[5]C[5]O)(O[5]C[5]){4|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[6,6]H)(H)	112.7685	0.009	2	112.7685	0.000	2	112.7685	0.000	2	112.7685	0.000	2	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H){1|Cl<1>,6|C<4>,6|H<1>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	112.3580	0.000	1	112.3580	0.000	1	112.3580	0.000	1	109.4102	4.235	4	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H){1|O<2>,1|S<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HS)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	109.1960	0.000	1	109.1960	0.000	1	108.4277	0.560	3	109.4102	4.235	4	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	108.0435	0.484	2	108.0435	0.235	2	108.4277	0.560	3	109.4102	4.235	4	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[4,6,6]-4:C[5,6,6]-4:O-2:O-2:	C[5,4x6]-4:C[6,6]-4:O[5]-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[4,6,6]C[4,6]O[4,6]H)(C[5,6,6]C[5,4x6]O[5]H)(OC)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H)	O(C[6,6]C[4,6,6]C[5,6,6]O)(CH3)	C[6,6](C[4,6,6]C[4,6]O[4,6]H)(C[5,6,6]C[5,4x6]O[5]H)(OC)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[4,6,6]C[5,6,6]O)(CH3)	108.4350	9.068	2	108.4350	82.227	2	108.4350	82.227	2	108.4350	82.227	2	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-3:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]O)(COO)	O(C[6,6]C[5,6,6]C[6]O[6])(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH){3|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]O)(COO){1|O<2>,5|C<4>,6|H<1>}	O(C[6,6]C[5,6,6]C[6]O[6])(H)	110.8270	0.000	2	110.8270	0.000	2	110.8270	0.000	2	111.3655	0.515	4	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:2:2:	4:4:4:3:	4:1:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(OH)	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[5]C[5]CH)(C[6]C[6]O)	O(C[6,6]C[5,6,6]C[6]O[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(OH){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[5]C[5]CH)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	O(C[6,6]C[5,6,6]C[6]O[6])(H)	111.9040	0.621	2	111.9040	0.385	2	111.9040	0.385	2	111.3655	0.515	4	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:3:2:	4:4:2:2:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6,6]-4:O[6]-2:O[5]-2:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)(OH)	C[5,6,6](C[5,6]C[5,6]CH)(C[6,6]C[6]2O)(O[6]C[6,6])(O[5]C[5])	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)(OH){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6]C[5,6]CH)(C[6,6]C[6]2O)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	106.5750	0.000	1	106.5750	0.000	1	106.5750	0.000	1	106.5750	0.000	1	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH)	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH)	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH){2|C<4>,2|O<2>,3|C<3>,7|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	112.8480	0.000	1	112.8480	0.000	1	112.8480	0.000	1	109.9503	12.751	3	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH)	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH)	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]O)(C[6,6]C[6]2O)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	109.9503	12.751	3	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:3:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-4:N[6]-3:O-2:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH)	O(C[6,6]C[5,6,6]C[6]N[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]N[6]O)(C[5]C[5]CO)(C[6]C[6]HH){1|O<1>,3|C<4>,8|H<1>}	O(C[6,6]C[5,6,6]C[6]N[6])(H)	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	109.9503	12.751	3	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	2:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	O[5,6]-2:C[6,6]-4:C[6]-4:O[5]-2:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH)	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6])	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH){3|C<4>,6|H<1>}	C[5,6,6](O[5,6]C[5,6,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(O[5]C[5,6]){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	108.6375	0.380	2	108.6375	0.144	2	108.6375	0.144	2	108.6375	0.144	2	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	3:3:4:4:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){2|Br<1>,1|C<4>,1|N<3>,2|C<3>,8|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	109.5270	0.000	1	109.5270	0.000	1	109.5475	0.001	2	109.5475	0.001	2	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	3:3:4:4:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6a]-3:C[5,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,8|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	109.5680	0.000	1	109.5680	0.000	1	109.5475	0.001	2	109.5475	0.001	2	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	3:4:4:3:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	N[5,6]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(C[5]C[5]C)	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,6|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(C[5]C[5]C){10|H<1>,4|C<4>}	O(C[6,6]C[5,6,6]C[6]2)(H)	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H){11|H<1>,1|O<2>,2|C<4>}	O(C[6,6]C[5,6,6]C[6]2)(H)	105.2420	1.225	2	105.2420	1.500	2	105.2420	1.500	2	105.2420	1.500	2	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:4:3:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C-4:O-2:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[6,6]-4:Si-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H)	O(C[6,6]C[5,6,6]C[6,6]C)(SiC3)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi){2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,6|H<1>}	O(C[6,6]C[5,6,6]C[6,6]C)(SiC3)	104.2530	0.000	1	104.2530	0.000	1	104.2530	0.000	1	104.2530	0.000	1	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	109.1585	0.101	4	109.1585	0.010	4	108.4767	3.748	12	108.4767	3.748	12	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	104.5550	0.000	1	108.5814	4.549	7	108.4767	3.748	12	108.4767	3.748	12	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){5|C<4>,6|H<1>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	109.0852	1.373	5	108.5814	4.549	7	108.4767	3.748	12	108.4767	3.748	12	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	110.0890	0.000	1	108.5814	4.549	7	108.4767	3.748	12	108.4767	3.748	12	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH){1|N<4>,3|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){2|O<2>,4|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	105.0170	0.000	1	105.0170	0.000	1	108.4767	3.748	12	108.4767	3.748	12	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCHH)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(H){1|O<2>,5|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCHH)	103.1160	0.000	1	103.1160	0.000	1	103.1160	0.000	1	103.1160	0.000	1	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[5,6]-4:O[5]-2:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6])	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6,6]HH)(O[5]C[5,6]){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	102.4190	0.000	1	102.4190	0.000	1	102.4190	0.000	1	105.2845	16.422	2	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH)	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH){5|C<4>,6|H<1>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	108.1500	0.000	1	108.1500	0.000	1	108.1500	0.000	1	105.2845	16.422	2	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O)	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH){1|O<1>,5|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HH)(C[6,6]C[6]2O)(C[5]C[5]O){2|O<2>,4|C<4>,8|H<1>}	O(C[6,6]C[5,6,6]C[6]2)(H)	106.6310	0.075	2	106.6310	0.006	2	106.6310	0.006	2	106.6310	0.006	2	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){11|H<1>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,5|C<4>,5|H<1>}	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	104.1560	0.000	1	104.1560	0.000	1	104.1560	0.000	1	104.1560	0.000	1	108.9783	9.189	66	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	3:4:4:2:	4:3:3:1:	4:1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O-2:	C[6,6]-4:C[5,6]-3:N[5]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH)	C[5,6](C[6,6]C[6,6a]C[6,6]O)(C[5,6]C[5]C[6])(N[5]C[5]C)(H)	O(C[6,6]C[6,6a]C[5,6]C[6,6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[6,6]C[6,6a]C[6,6]O)(C[5,6]C[5]C[6])(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	O(C[6,6]C[6,6a]C[5,6]C[6,6])(H)	110.6220	4.179	2	110.6220	17.464	2	110.6220	17.464	2	110.6220	17.464	2	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:3:2:2:	4:2:2:1:	4:1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[6,6]-4:O[5,6]-2:O[5]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH)	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]O[6]O)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6,6]C[5,6]C[6,6]O[6])(H)	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:3:2:2:	4:4:3:1:	4:1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6,6]C[5,6]C[6,6]O[6])(H)	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:3:2:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H)	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]O[6]O)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	O(C[6,6]C[5,6]C[6,6]O[6])(H)	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:3:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[5,5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]H)(H)	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	104.8290	0.000	1	104.8290	0.000	1	104.8290	0.000	1	104.8290	0.000	1	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[5,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H)	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6,6]C[6,6,6a]C[6]O)(C[5]C[5]HH)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	105.0210	0.055	2	105.0210	0.003	2	105.0210	0.003	2	105.0210	0.003	2	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:3:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6,6]-3:C[6]-4:O-2:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]O)(C[5]C[5]HH)(CH3)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){6|C<4>,6|H<1>}	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]O)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	105.8410	0.343	4	105.8410	0.118	4	105.8410	0.118	4	105.8410	0.118	4	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:2:2:	3:3:4:2:	4:1:	C[3,3x6]-4:C[5,6]-4:O[6]-2:O-2:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-4:O-2:	C[6,6]-4:H-1:	C[6,6](C[3,3x6]C[3,5,6,6]C[3x6]O[3])(C[5,6]C[5,6,6a]C[5,6a]O)(O[6]C[6,6])(OH)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3,3x6]O[6]O)(OO)	O(C[6,6]C[3,3x6]C[5,6]O[6])(H)	C[6,6](C[3,3x6]C[3,5,6,6]C[3x6]O[3])(C[5,6]C[5,6,6a]C[5,6a]O)(O[6]C[6,6])(OH){1|N<4>,3|C<4>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3,3x6]O[6]O)(OO){1|O<2>,3|C<4>,5|C<3>}	O(C[6,6]C[3,3x6]C[5,6]O[6])(H)	109.8880	0.000	1	109.8880	0.000	1	109.8880	0.000	1	109.8880	0.000	1	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:2:2:	4:4:2:2:	4:1:	C[5,6]-4:C[6,6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:N[5]-2:S[5]-2:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[6]N[5]S[5])(C[6,6]O[6]2H)(O[6]C[6,6])(OH)	C[5,6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(N[5]C[5])(S[5]C[5])	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]C[6]N[5]S[5])(C[6,6]O[6]2H)(O[6]C[6,6])(OH){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(N[5]C[5])(S[5]C[5]){2|C<4>,2|O<2>,5|H<1>}	O(C[6,6]C[5,6]C[6,6]O[6])(H)	111.4740	0.000	1	111.4740	0.000	1	111.4740	0.000	1	111.4740	0.000	1	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	105.1510	0.000	1	105.1510	0.000	1	105.1510	0.000	1	105.1510	0.000	1	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:3:2:	4:4:2:4:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[5,6]-4:O[5]-2:C-4:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|H<1>,2|O<1>,5|C<4>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	105.5793	0.675	3	105.5793	0.455	3	105.5793	0.455	3	105.5793	0.455	3	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	106.3060	0.387	2	106.3060	0.150	2	106.3060	0.150	2	106.3060	0.150	2	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:3:2:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-3:O[5]-2:H-1:	C[6,6]-4: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]HH)(OH)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6])(O[5]C[5])(H)	O(C[6,6]C[5,6]C[6,6]C[6])(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]HH)(OH){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6]-4: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]HO)(OH)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	O(C[6,6]C[5,6]C[6,6]C[6])(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]HO)(OH){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	111.1330	0.000	1	111.1330	0.000	1	111.1330	0.000	1	111.1330	0.000	1	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]O)(H){4|C<4>,8|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:4:3:3:	4:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(C[5]C[5]H)(C[5]C[5]O){5|H<1>,6|C<4>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	104.9840	0.469	4	104.9840	0.220	4	105.6248	3.222	13	105.7174	3.094	14	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	110.0090	0.000	1	105.7468	6.119	6	105.6248	3.222	13	105.7174	3.094	14	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){4|H<1>,7|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	104.8944	1.483	5	105.7468	6.119	6	105.6248	3.222	13	105.7174	3.094	14	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OH){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	104.9200	0.000	1	104.9200	0.000	1	105.6248	3.222	13	105.7174	3.094	14	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HO)(OH){1|N<4>,3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,4|H<1>,7|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	107.8840	0.000	1	107.8840	0.000	1	105.6248	3.222	13	105.7174	3.094	14	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	105.9010	0.000	1	105.9010	0.000	1	105.6248	3.222	13	105.7174	3.094	14	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	106.9210	0.000	1	106.9210	0.000	1	106.9210	0.000	1	105.7174	3.094	14	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C-4:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCHH)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCHH)	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6,6]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[6,6]-4:H-1:	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]HH)(OH)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	O(C[6,6]C[5,6]C[6,6]C[6])(H)	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]HH)(OH){1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){4|C<4>,8|H<1>}	O(C[6,6]C[5,6]C[6,6]C[6])(H)	104.2460	0.000	1	104.2460	0.000	1	104.2460	0.000	1	104.2460	0.000	1	106.8196	5.929	40	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H)	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[5,3x6]C[6]H)(H)	111.5940	1.517	4	111.5940	2.302	4	111.5940	2.302	4	111.5940	2.302	4	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H)	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]HH)2(C[6]C[6]HO){1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[5,3x6]C[6]H)(H)	111.3155	0.008	2	111.3155	0.000	2	111.3155	0.000	2	110.4987	4.708	7	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO){2|O<1>,4|C<4>,4|H<1>}	O(C[6]C[5,3x6]C[6]H)(H)	108.1140	0.495	2	108.1140	0.245	2	108.1140	0.245	2	110.4987	4.708	7	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	O(C[6]C[5,3x6]C[6]H)(H)	111.5440	2.451	3	111.5440	6.009	3	111.5440	6.009	3	110.4987	4.708	7	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	O(C[6]C[5,3x6]C[6]H)(CH3)	108.0070	0.000	1	108.0070	0.000	1	108.7962	0.845	17	108.8608	0.870	18	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	O(C[6]C[5,3x6]C[6]H)(CH3)	109.1320	0.000	1	109.1320	0.000	1	108.7962	0.845	17	108.8608	0.870	18	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	O(C[6]C[5,3x6]C[6]H)(CH3)	110.2460	0.000	1	110.2460	0.000	1	108.7962	0.845	17	108.8608	0.870	18	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	O(C[6]C[5,3x6]C[6]H)(CH3)	109.1205	0.802	4	108.7498	1.241	8	108.7962	0.845	17	108.8608	0.870	18	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,6|C<4>,8|H<1>}	O(C[6]C[5,3x6]C[6]H)(CH3)	107.6880	0.000	1	108.7498	1.241	8	108.7962	0.845	17	108.8608	0.870	18	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	O(C[6]C[5,3x6]C[6]H)(CH3)	110.1100	0.000	1	108.7498	1.241	8	108.7962	0.845	17	108.8608	0.870	18	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	O(C[6]C[5,3x6]C[6]H)(CH3)	108.7650	0.000	1	108.7498	1.241	8	108.7962	0.845	17	108.8608	0.870	18	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<4>,1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,8|H<1>}	O(C[6]C[5,3x6]C[6]H)(CH3)	106.9530	0.000	1	108.7498	1.241	8	108.7962	0.845	17	108.8608	0.870	18	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	O(C[6]C[5,3x6]C[6]H)(CH3)	108.7210	0.000	1	108.7210	0.000	1	108.7962	0.845	17	108.8608	0.870	18	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	O(C[6]C[5,3x6]C[6]H)(CH3)	108.9620	0.361	4	108.6864	0.478	5	108.7962	0.845	17	108.8608	0.870	18	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	O(C[6]C[5,3x6]C[6]H)(CH3)	107.5840	0.000	1	108.6864	0.478	5	108.7962	0.845	17	108.8608	0.870	18	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	O(C[6]C[5,3x6]C[6]H)(CH3)	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	108.8608	0.870	18	109.6332	2.904	29	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,3x6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	O(C[6]C[5,5,3x6]C[6]H)(H)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	O(C[6]C[5,5,3x6]C[6]H)(H)	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	107.8390	1.759	10	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[4,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[5,5,3x6](C[4,5,6]C[4,5,6,6]C[4]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,5,3x6](C[4,5,6]C[4,5,6,6]C[4]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,4|C<4>,8|H<1>}	O(C[6]C[5,5,3x6]C[6]H)(CH3)	108.7100	1.594	3	108.7100	2.540	3	108.7100	2.540	3	107.8188	1.974	9	107.8390	1.759	10	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){2|C<3>,5|C<4>,7|H<1>}	O(C[6]C[5,5,3x6]C[6]H)(CH3)	106.9605	1.583	2	107.1600	1.373	3	107.1600	1.373	3	107.8188	1.974	9	107.8390	1.759	10	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	O(C[6]C[5,5,3x6]C[6]H)(CH3)	107.5590	0.000	1	107.1600	1.373	3	107.1600	1.373	3	107.8188	1.974	9	107.8390	1.759	10	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){2|C<3>,3|C<4>,8|H<1>}	O(C[6]C[5,5,3x6]C[6]H)(CH3)	105.9520	0.000	1	105.9520	0.000	1	105.9520	0.000	1	107.8188	1.974	9	107.8390	1.759	10	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,3x6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H)	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,5|C<4>,8|H<1>}	O(C[6]C[5,5,3x6]C[6]H)(CH3)	108.4035	0.337	2	108.4035	0.114	2	108.4035	0.114	2	107.8188	1.974	9	107.8390	1.759	10	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6,6]	O	4:3:2:1:	4:4:3:4:	4:4:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C[6]-4:	C[6]-4:Si-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[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO)	O(C[6]C[5,5,6,6]C[6]H)(SiC3)	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[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]O)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,5,6,6]C[6]H)(SiC3)	109.4616	0.653	8	109.4616	0.426	8	109.4616	0.426	8	109.4616	0.426	8	110.1263	4.677	18	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H)	C[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)	O(C[6]C[5,5,6,6]C[6]H)(H)	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[5,5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HO){10|H<1>,1|C<3>,4|C<4>}	O(C[6]C[5,5,6,6]C[6]H)(H)	114.0810	0.000	1	114.0810	0.000	1	114.0810	0.000	1	114.0810	0.000	1	110.1263	4.677	18	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6,6]	O	4:4:2:1:	4:2:3:4:	4:1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO)	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO){1|C<4>,1|O<1>,6|H<1>}	O(C[6]C[5,5,6,6]C[6]H)(H)	108.1620	0.000	1	108.1620	0.000	1	108.1620	0.000	1	108.1620	0.000	1	110.1263	4.677	18	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6,6]	O	4:4:2:1:	4:2:3:4:	4:4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[6]-4:Si-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO)	O(C[6]C[5,5,6,6]C[6]H)(SiC3)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	O(C[6]C[5,5,6,6]C[6]H)(SiC3)	104.4710	0.000	1	104.4710	0.000	1	104.4710	0.000	1	104.4710	0.000	1	110.1263	4.677	18	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6]-4:	C[6]-4:H-1:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]O)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]O)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<4>,1|N<3>,6|H<1>}	O(C[6]C[5,5,6,6]C[6]H)(H)	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	110.4737	1.668	3	110.1263	4.677	18	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[3x5,6]-4:O[5,6]-2:C[6]-4:	C[6]-4:H-1:	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO)	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H){2|H<1>,2|O<2>,5|C<4>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5,6]C[5,5,6]2O)(O[5,6]C[5,6,6])(C[6]C[6]HO){2|O<2>,3|H<1>,7|C<4>}	O(C[6]C[5,5,6,6]C[6]H)(H)	111.2180	0.109	2	111.2180	0.012	2	111.2180	0.012	2	110.4737	1.668	3	110.1263	4.677	18	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO)	O(C[6]C[5,5,6,6]C[5,6]H)(H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(C[6]C[5,6]HO){1|C<3>,3|C<4>,5|H<1>}	O(C[6]C[5,5,6,6]C[5,6]H)(H)	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	112.1112	0.685	4	110.1263	4.677	18	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,4x6]-4:C[5,5,6]-4:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H)	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|N<4>,4|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,4x6]C[5,3x6]N[5,6,6]C[6])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]HO){12|H<1>,3|C<4>}	O(C[6]C[5,5,6,6]C[6]H)(H)	112.0510	0.000	1	112.0510	0.000	1	112.0510	0.000	1	112.1112	0.685	4	110.1263	4.677	18	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO)	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]HO){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[5,5,6,6]C[6]H)(H)	111.5990	0.593	2	111.5990	0.351	2	111.5990	0.351	2	112.1112	0.685	4	110.1263	4.677	18	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6]	O	4:2:2:1:	4:4:4:3:	4:4:	C[5,5,6]-4:O[6]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]C[5]C)	O(C[6]C[5,5,6]O[6]H)(CH3)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[6]C[5,5,6]O[6]H)(CH3)	108.1990	0.000	2	108.1990	0.000	2	107.8145	0.197	4	107.8145	0.197	4	108.6817	1.810	15	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6]	O	4:2:2:1:	4:4:4:3:	4:4:	C[5,5,6]-4:O[6]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C)	O(C[6]C[5,5,6]O[6]H)(CH3)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	O(C[6]C[5,5,6]O[6]H)(CH3)	107.4300	0.000	2	107.4300	0.000	2	107.8145	0.197	4	107.8145	0.197	4	108.6817	1.810	15	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6]	O	4:2:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:N[6]-2:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO)	O(C[6]C[5,5,6]N[6]H)(CH3)	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)(C[6]N[6]HO){1|C<3>,1|O<1>,6|H<1>}	O(C[6]C[5,5,6]N[6]H)(CH3)	106.5350	0.000	1	106.5350	0.000	1	106.5350	0.000	1	106.5350	0.000	1	108.6817	1.810	15	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6]	O	4:3:2:1:	4:3:4:4:	4:1:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[3x5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,5,6]C[3x5,6]C[5,6a]C[5])(C[6]C[6]H)(OH)(H)	C[5,5,6](C[3x5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)	O(C[6]C[5,5,6]C[6]H)(H)	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[5,5,6](C[3x5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,5|C<3>,5|H<1>}	O(C[6]C[5,5,6]C[6]H)(H)	108.6300	0.000	1	108.6300	0.000	1	108.6300	0.000	1	108.6300	0.000	1	108.6817	1.810	15	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:N[5,6]-3:O-2:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-4:	C[6]-4:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H)	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,5]C[5]2C)(C[6]N[5,6]HO)(C[5]O[5]HH)	O(C[6]C[5,5,6]N[5,6]H)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,5]C[5]2C)(C[6]N[5,6]HO)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O(C[6]C[5,5,6]N[5,6]H)(H)	109.1675	0.354	2	109.1675	0.126	2	109.1675	0.126	2	109.1675	0.126	2	108.6817	1.810	15	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,5,6](C[5,5,6,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)	O(C[6]C[5,5,6]C[6]H)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO){2|C<4>,3|C<3>,7|H<1>}	O(C[6]C[5,5,6]C[6]H)(H)	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	108.6817	1.810	15	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[4,5,6]-4:C[5,5]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,5]C[5]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])	O(C[6]C[5,5,6]C[5,6]H)(H)	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,5]C[5]O[5]H)(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5,5,6]C[5,6]H)(H)	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	108.6817	1.810	15	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	O(C[6]C[5,5,6]C[6]H)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	O(C[6]C[5,5,6]C[6]H)(H)	112.3600	0.000	1	110.5540	6.523	2	110.5540	6.523	2	110.5540	6.523	2	108.6817	1.810	15	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	O(C[6]C[5,5,6]C[6]H)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,3|C<4>,8|H<1>}	O(C[6]C[5,5,6]C[6]H)(H)	108.7480	0.000	1	110.5540	6.523	2	110.5540	6.523	2	110.5540	6.523	2	108.6817	1.810	15	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:Si-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO)	O(C[6]C[5,5,6]C[6]H)(SiC3)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]HO){1|O<1>,3|C<4>,8|H<1>}	O(C[6]C[5,5,6]C[6]H)(SiC3)	108.7040	0.972	2	108.7040	0.944	2	108.7040	0.944	2	108.7040	0.944	2	108.6817	1.810	15	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,5,6]	O	4:4:4:2:	3:4:4:4:	4:1:	C[5,5,6]-4:C[6]-4:C-4:O-2:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C[5,5,6](N[5,6]C[5,6]C)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]CO)	O(C[6]C[5,5,6]C[6]C)(H)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,5,6](N[5,6]C[5,6]C)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]CO){1|C<3>,1|C<4>,7|H<1>}	O(C[6]C[5,5,6]C[6]C)(H)	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	108.6817	1.810	15	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:3:2:1:	3:4:4:4:	4:4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6,6,6a]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:C-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[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(CH3)	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[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(C[6]C[5,6,6]C[6]H)(CH3)	110.3390	0.799	3	110.3390	0.639	3	110.3390	0.639	3	110.3390	0.639	3	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:3:2:1:	4:2:4:1:	4:1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	O(C[6]C[5,6,6]C[6]H)(H)	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[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	112.3005	0.510	2	112.3005	0.260	2	112.3005	0.260	2	112.3005	0.260	2	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:3:2:1:	4:3:4:1:	4:1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6,6]-4:N[5,6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6,6]N[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H)	O(C[6]C[5,6,6]C[6]H)(H)	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[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	109.1620	0.320	2	109.1620	0.102	2	109.1620	0.102	2	109.1620	0.102	2	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6,6]C[6]H)(H)	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[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	112.0050	0.000	1	112.0050	0.000	1	112.0050	0.000	1	110.8881	3.998	11	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6,6]C[6]H)(H)	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[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>,3|O<2>}	O(C[6]C[5,6,6]C[6]H)(H)	114.0910	0.000	1	114.0910	0.000	1	110.7764	4.290	10	110.8881	3.998	11	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6,6]C[6]H)(H)	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[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,2|C<3>,2|H<1>,3|O<2>}	O(C[6]C[5,6,6]C[6]H)(H)	109.3260	0.000	1	109.3260	0.000	1	110.7764	4.290	10	110.8881	3.998	11	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6,6]C[6]H)(H)	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[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,6|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	111.2858	0.409	4	111.2858	0.167	4	110.7764	4.290	10	110.8881	3.998	11	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6,6]C[6]H)(H)	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[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	110.8820	1.049	2	110.8820	1.101	2	110.7764	4.290	10	110.8881	3.998	11	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6,6]C[6]H)(H)	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[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	108.7200	3.794	2	108.7200	14.397	2	110.7764	4.290	10	110.8881	3.998	11	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]C)(OH)(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6,6]C[6]H)(H)	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[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	113.1400	0.000	1	113.1400	0.000	1	113.1400	0.000	1	112.8280	0.195	2	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(OH)(H)	C[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(H)	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[5,6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]HH)(C[5]C[5]CH)(C[6]C[6]HO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	112.5160	0.000	1	112.5160	0.000	1	112.5160	0.000	1	112.8280	0.195	2	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:3:2:1:	4:4:4:4:	4:4:	C[5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH)	O(C[6]C[5,6,6]C[6,6a]H)(CCHH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){4|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6]C[6,6a]HO)(C[5]C[5]CH)(C[6]C[6]HH){1|O<2>,4|C<3>,7|H<1>}	O(C[6]C[5,6,6]C[6,6a]H)(CCHH)	113.0955	0.134	2	113.0955	0.018	2	113.0955	0.018	2	113.0955	0.018	2	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:3:2:2:	4:4:4:2:	4:4:	C[5,6,6]-4:C[6]-3:O-2:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:N[5]-2:	C[6]-4:C-4:	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(OC)2	C[5,6,6](C[5,6,6]C[5]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]OO)(N[5]C[5])	O(C[6]C[5,6,6]C[6]O)(CH3)	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(OC)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]OO)(N[5]C[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	O(C[6]C[5,6,6]C[6]O)(CH3)	111.0585	6.952	2	111.0585	48.324	2	111.0585	48.324	2	111.0585	48.324	2	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HO)(C[6]C[6]HO){1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	112.3250	0.000	1	112.3250	0.000	1	112.3250	0.000	1	112.3250	0.000	1	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(O[5,6]C[5,5,6])(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	111.1460	1.114	2	111.1460	1.242	2	111.1460	1.242	2	111.1460	1.242	2	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:2:4:2:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O[5,6]-2:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[6]2H)(O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5]){1|O<2>,3|C<4>,7|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	111.1120	0.141	2	111.1120	0.020	2	111.1120	0.020	2	111.1120	0.020	2	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	112.5830	0.000	1	112.5830	0.000	1	112.5830	0.000	1	112.5830	0.000	1	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:3:4:2:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5])	O(C[6]C[5,6,6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6]HH)(C[5,6]C[5]C[6])(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	O(C[6]C[5,6,6]C[5,6]H)(H)	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO){10|H<1>,1|O<1>,2|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	112.2530	0.000	1	112.2530	0.000	1	112.2530	0.000	1	112.5210	0.144	2	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	112.7890	0.000	1	112.7890	0.000	1	112.7890	0.000	1	112.5210	0.144	2	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5,6]-2:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	105.1440	0.000	1	105.1440	0.000	1	105.1440	0.000	1	105.1440	0.000	1	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5]){1|O<1>,4|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	109.8180	0.000	1	109.8180	0.000	1	110.5275	1.007	2	110.5275	1.007	2	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[5]C[5]){1|O<1>,3|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	111.2370	0.000	1	111.2370	0.000	1	110.5275	1.007	2	110.5275	1.007	2	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H)	O(C[6]C[5,6,6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	O(C[6]C[5,6,6]C[5,6]H)(H)	114.5810	0.000	1	114.5810	0.000	1	114.5810	0.000	1	111.5499	4.012	9	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H)	O(C[6]C[5,6,6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HO)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	O(C[6]C[5,6,6]C[5,6]H)(H)	111.4602	1.787	6	111.4602	3.193	6	111.4602	3.193	6	111.5499	4.012	9	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>,3|O<2>}	O(C[6]C[5,6,6]C[6]H)(H)	110.3035	1.947	2	110.3035	3.790	2	110.3035	3.790	2	111.5499	4.012	9	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6,6]C[6]H)(SiC3)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|H<1>,3|C<4>,3|O<2>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(SiC3)	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){2|H<1>,6|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,8|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	109.8285	0.902	2	109.8285	0.813	2	109.8285	0.813	2	108.6692	2.340	12	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){3|H<1>,6|C<4>}	C[5,6,6](C[5,5,6]C[3x5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5,5]){2|O<2>,6|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	108.3990	1.656	4	108.3990	2.742	4	108.3990	2.742	4	108.6692	2.340	12	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	108.6692	2.340	12	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	108.6692	2.340	12	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,6|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	106.6275	0.793	2	106.6275	0.628	2	106.6275	0.628	2	108.6692	2.340	12	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	108.7840	0.000	1	108.7840	0.000	1	109.5290	1.110	2	108.6692	2.340	12	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H){1|C<2>,1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	110.2740	0.000	1	110.2740	0.000	1	109.5290	1.110	2	108.6692	2.340	12	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[6]-4:C-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[5,6]HO)(O[5]C[5])	O(C[6]C[5,6,6]C[5,6]H)(CH3)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[5,6]HO)(O[5]C[5]){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	O(C[6]C[5,6,6]C[5,6]H)(CH3)	105.9660	0.000	1	105.9660	0.000	1	105.9660	0.000	1	108.5487	12.201	3	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[3x5]-4:C[5,6,6]-4:C[6]-4:O[6]-2:	C[6]-4:C-4:	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H)	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6])	O(C[6]C[5,6,6]C[6]H)(CHHO)	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6]){1|B<3>,1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	O(C[6]C[5,6,6]C[6]H)(CHHO)	112.5230	0.000	1	112.5230	0.000	1	112.5230	0.000	1	108.5487	12.201	3	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[6]-4:Si-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	O(C[6]C[5,6,6]C[6]H)(SiC3)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,3|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6]H)(SiC3)	107.1570	0.000	1	107.1570	0.000	1	107.1570	0.000	1	108.5487	12.201	3	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[6]C[6]HO)(C[6]C[6]H)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[5]C[5]CH)(C[6]C[6]HO)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	109.2395	0.538	2	109.2395	0.290	2	109.2395	0.290	2	111.1272	3.074	5	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	112.6400	0.000	1	112.3857	0.065	3	112.3857	0.065	3	111.1272	3.074	5	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,4|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	112.2585	0.180	2	112.3857	0.065	3	112.3857	0.065	3	111.1272	3.074	5	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,4x6]-4:C[5,6]-4:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|I<1>,1|O<1>,3|H<1>,6|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	109.0880	0.000	1	109.0880	0.000	1	109.0880	0.000	1	110.3365	4.953	6	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6]2H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	108.6710	0.000	2	108.6710	0.000	2	108.6710	0.000	2	110.3365	4.953	6	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,4|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	109.2160	0.000	1	111.0610	6.808	2	111.8630	5.334	3	110.3365	4.953	6	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HO){1|O<2>,5|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	112.9060	0.000	1	111.0610	6.808	2	111.8630	5.334	3	110.3365	4.953	6	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	113.4670	0.000	1	113.4670	0.000	1	111.8630	5.334	3	110.3365	4.953	6	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[5,6,6](C[5,5,6,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HS)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6,6]C[6]H)(CHHO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,1|S<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HS)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(CHHO)	106.6140	0.000	1	106.6140	0.000	1	106.6140	0.000	1	106.6140	0.000	1	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[3,6]-4:C-4:O-2:	C[3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH)	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5])	O(C[6]C[5,6,6]C[3,6]C)(H)	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[6,6]2C)(C[5,6]C[5,6]HO)(C[6]C[3,6]CO)(O[5]C[5]){3|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[3,6]C)(H)	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	108.2496	3.943	12	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,3x6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	O(C[6]C[5,6,6]C[6]C)(H)	108.1160	1.222	3	108.1160	1.494	3	108.1160	1.494	3	108.2496	3.943	12	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	C[5,6,6](C[5,6,6]C[3,6]C[5,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5])	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C[5,6,6](C[5,6,6]C[3,6]C[5,6]C[5])(C[5,6]C[5,6]HO)(C[6]C[6]CO)(O[5]C[5]){3|O<2>,4|C<4>,7|H<1>}	O(C[6]C[5,6,6]C[6]C)(H)	107.3690	0.000	1	107.3690	0.000	1	107.3690	0.000	1	108.2496	3.943	12	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]C)(H)	109.5930	0.000	1	107.0270	7.034	4	108.2987	6.444	7	108.2496	3.943	12	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){2|O<2>,4|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]C)(H)	106.1717	2.482	3	107.0270	7.034	4	108.2987	6.444	7	108.2496	3.943	12	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5])	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH){4|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6]C)(H)	109.9943	1.111	3	109.9943	1.234	3	108.2987	6.444	7	108.2496	3.943	12	110.2045	5.619	85	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	3:4:4:1:	4:1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H)	O(C[6]C[5a,6]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	O(C[6]C[5a,6]C[5,6]H)(H)	106.4433	1.151	4	106.4433	1.326	4	107.0194	2.654	5	107.0194	2.654	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	3:4:4:1:	4:1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H)	O(C[6]C[5a,6]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(OH)(H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[5a,6]C[5,6]H)(H)	109.3240	0.000	1	109.3240	0.000	1	107.0194	2.654	5	107.0194	2.654	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:2:4:1:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H)	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6,6a]HO)(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	107.4830	0.000	1	107.4830	0.000	1	107.4830	0.000	1	107.4830	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:2:4:1:	4:4:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H)	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O(C[6]C[5a,6]C[5,6]H)(CCHH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[6]C[5a,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	O(C[6]C[5a,6]C[5,6]H)(CCHH)	111.9820	0.000	1	111.9820	0.000	1	111.9820	0.000	1	111.9820	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:2:4:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5])(CH3)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:2:4:	4:4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:Si-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3)	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3){1|H<1>,1|N<2>,3|C<3>}	O(C[6]C[6,6a]C[5,6]H)(SiC3)	110.9270	0.000	1	110.3445	0.679	2	110.3445	0.679	2	110.3445	0.679	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:2:4:	4:4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:Si-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3)	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[5,6]H)(SiC3)	109.7620	0.000	1	110.3445	0.679	2	110.3445	0.679	2	110.3445	0.679	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:3:4:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	112.2550	0.000	1	112.2550	0.000	1	111.1710	0.959	3	111.1710	0.959	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:3:4:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]O)(CH3)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]O)(CH3){2|C<3>,6|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	110.6290	0.395	2	110.6290	0.156	2	111.1710	0.959	3	111.1710	0.959	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H)	O(C[6]C[5a,6]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H){1|H<1>,1|N<3>,1|S<2>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	O(C[6]C[5a,6]C[5,6]H)(H)	111.2130	0.000	1	111.2130	0.000	1	111.2130	0.000	1	108.8207	9.898	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	108.6840	0.000	1	108.6840	0.000	1	109.2182	9.091	4	108.8207	9.898	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	109.7340	5.119	2	109.7340	26.209	2	109.2182	9.091	4	108.8207	9.898	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	108.7210	0.000	1	108.7210	0.000	1	109.2182	9.091	4	108.8207	9.898	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H){1|S<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	104.8380	0.000	1	104.8380	0.000	1	104.8380	0.000	1	108.8207	9.898	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:1:	4:4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H)	O(C[6]C[6,6a]C[5,6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]CO)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(CH3)	112.0650	0.000	1	112.0650	0.000	1	111.0957	6.791	3	111.0545	4.534	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:1:	4:4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	O(C[6]C[6,6a]C[5,6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	O(C[6]C[6,6a]C[5,6]H)(CH3)	110.6110	3.489	2	110.6110	12.172	2	111.0957	6.791	3	111.0545	4.534	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:1:	4:4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:Si-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H){2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(SiC3)	110.9310	0.000	1	110.9310	0.000	1	110.9310	0.000	1	111.0545	4.534	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:2:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]HO)(CN)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]HO)(CN){2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	112.7560	0.000	1	112.7560	0.000	1	112.7560	0.000	1	112.7560	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]HH)(CCO)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]HH)(CCO){2|C<3>,6|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	104.6020	0.000	1	104.6020	0.000	1	104.6020	0.000	1	104.6660	0.011	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H)	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(C[5]C[5]O){1|S<2>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	104.6980	0.126	2	104.6980	0.016	2	104.6980	0.016	2	104.6660	0.011	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:4:	4:1:	C[6,6]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C[5]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH)	O(C[6]C[5,6]C[6,6]H)(H)	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[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	111.9420	0.000	1	111.9420	0.000	1	111.9420	0.000	1	111.9420	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:1:	4:4:4:4:	4:4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H)	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6,6a]HO)(C[6]C[6]HH)	O(C[6]C[6,6a]C[5,6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H){1|C<4>,4|C<3>,7|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6,6a]HO)(C[6]C[6]HH){2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]H)2	105.4215	0.288	2	105.4215	0.083	2	105.4215	0.083	2	105.4215	0.083	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	3:4:2:2:	4:4:3:4:	4:1:	C[6,6a]-3:C[5,6]-4:C-2:O-2:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3)	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]C)(H)	111.8520	0.024	2	111.8520	0.001	2	111.8520	0.001	2	111.8520	0.001	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	3:4:4:4:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(OC)(H)	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HO)(CH3)	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HO)(CH3){1|O<2>,5|C<4>}	O(C[6]C[5,6]O[6]H)(CH3)	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:3:4:3:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:N[5]-3:C[6]-4:C-3:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]N[5])(C[6]O[6]HO)(COO)	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]N[5])(C[6]O[6]HO)(COO){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[5,6]O[6]H)(CCHH)	105.3820	0.000	1	105.3820	0.000	1	105.3820	0.000	1	105.3820	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:2:1:	4:1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]O[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]O[6]H)(H)	105.9050	0.000	1	105.9050	0.000	1	105.9050	0.000	1	105.9050	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[5,6]O[6]H)(CH3)	109.5770	0.000	1	109.5770	0.000	1	107.1806	2.123	8	107.1806	2.123	8	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H)	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(O[5]C[5,5])(H){1|C<4>,1|H<1>,3|O<2>}	O(C[6]C[5,6]O[6]H)(CH3)	109.0270	0.000	1	109.0270	0.000	1	107.1806	2.123	8	107.1806	2.123	8	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H)	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H){1|O<1>,2|C<4>}	O(C[6]C[5,6]O[6]H)(CCHH)	106.6030	0.000	1	106.6030	0.000	1	107.1806	2.123	8	107.1806	2.123	8	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]O[6]H)(CH3)	106.4476	0.820	5	106.4476	0.672	5	107.1806	2.123	8	107.1806	2.123	8	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:3:1:	4:1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	O(C[6]C[5,6]O[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	O(C[6]C[5,6]O[6]H)(H)	110.5130	0.772	2	110.5130	0.596	2	110.5130	0.596	2	110.5130	0.596	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	105.2290	0.000	1	105.2290	0.000	1	105.2290	0.000	1	107.0495	6.628	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:3:1:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(OC)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(N[5]P[5]S)(H)	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,1|P<4>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]O[6]HO)(N[5]P[5]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[5,6]O[6]H)(CH3)	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	107.0495	6.628	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]O[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	108.3853	1.285	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H)	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]CH)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){2|C<4>,2|H<1>}	O(C[6]C[5,6]O[6]H)(CH3)	109.6930	0.000	1	109.6930	0.000	1	109.6930	0.000	1	108.3853	1.285	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H)	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]2H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]2H)	107.6790	0.000	1	107.6790	0.000	1	107.6790	0.000	1	108.3853	1.285	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:4:3:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO)	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	O(C[6]C[5,6]O[6]H)(CCHH)	104.9360	0.000	1	104.9360	0.000	1	104.9360	0.000	1	105.4765	0.584	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:2:1:	4:4:4:3:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO)	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[5,6]O[6]H)(CCHH)	106.0170	0.000	1	106.0170	0.000	1	106.0170	0.000	1	105.4765	0.584	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:4:2:	4:4:2:1:	4:4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	O(C[6]C[5,6]O[6]C)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[5,6]O[6]C)(CCHH)	102.0820	0.000	1	102.0820	0.000	1	102.7804	0.214	5	102.7804	0.214	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:4:2:	4:4:2:1:	4:4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	O(C[6]C[5,6]O[6]C)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[5,6]O[6]C)(CCHH)	102.9550	0.286	4	102.9550	0.082	4	102.7804	0.214	5	102.7804	0.214	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:4:2:	4:4:2:3:	4:4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CO)(O[5]C[5,6])(COO)	O(C[6]C[5,6]O[6]C)(CH3)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC){2|O<2>,4|C<4>}	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CO)(O[5]C[5,6])(COO){3|C<4>}	O(C[6]C[5,6]O[6]C)(CH3)	106.1950	0.000	1	106.1950	0.000	1	106.1950	0.000	1	106.1950	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:2:4:2:	4:4:4:4:	4:1:	C[5,6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(C[6]O[6]CO)	O(C[6]C[5,6]O[6]C)(H)	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(C[6]O[6]CO){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]O[6]C)(H)	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	2:4:3:1:	4:4:	C[5,6]-4:C[6]-3:O-2:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	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[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	111.5580	0.000	1	111.5580	0.000	1	113.1405	5.009	2	113.1405	5.009	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	2:4:3:1:	4:4:	C[5,6]-4:C[6]-3:O-2:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	O(C[6]C[5,6]C[6]H)(CH3)	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[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[5,6]C[6]H)(CH3)	114.7230	0.000	1	114.7230	0.000	1	113.1405	5.009	2	113.1405	5.009	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	2:4:4:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.0160	0.000	1	112.0160	0.000	1	112.0160	0.000	1	112.0160	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	3:2:4:4:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5]-3:O[5]-2:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[5,6]C[6]H)(H)	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	3:3:4:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.3667	1.114	3	112.7733	0.827	6	112.7733	0.827	6	112.7733	0.827	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	3:3:4:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.1800	0.574	3	112.7733	0.827	6	112.7733	0.827	6	112.7733	0.827	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	3:3:4:2:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(OH)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(OH){1|O<1>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	3:4:3:3:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,8|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	109.8595	8.327	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	3:4:3:3:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5]-3:C[6]-4:C[6]-3:N[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(OH)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6]H)(H)	111.9000	0.000	1	111.9000	0.000	1	111.9000	0.000	1	109.8595	8.327	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	3:4:3:4:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	112.9230	0.098	2	112.5213	0.489	3	112.5213	0.489	3	112.5213	0.489	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	3:4:3:4:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	111.7180	0.000	1	112.5213	0.489	3	112.5213	0.489	3	112.5213	0.489	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.5980	0.000	1	113.7950	0.078	2	113.7950	0.078	2	113.7950	0.078	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|S<2>,2|C<3>,2|O<1>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.9920	0.000	1	113.7950	0.078	2	113.7950	0.078	2	113.7950	0.078	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	3:4:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	110.7175	0.535	2	110.7175	0.287	2	110.7175	0.287	2	110.7175	0.287	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	3:4:4:3:	4:4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O)	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]H)(SiC3)	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:2:4:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.5964	1.057	14	111.5964	1.117	14	111.5964	1.117	14	111.5964	1.117	14	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5]-4:O[5,6]-2:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H)	C[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	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[5,6](C[5,5]C[5,5]C[5,6]H)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	113.5160	0.000	1	113.5160	0.000	1	113.5160	0.000	1	113.2917	0.067	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	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[5,6](C[5]C[5,5]HO)(O[5,6]C[5,6])(C[6]C[6]HO)(H){1|C<2>,1|H<1>,3|C<3>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	113.1795	0.243	2	113.1795	0.059	2	113.1795	0.059	2	113.2917	0.067	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:2:4:4:	4:1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H){3|H<1>,5|C<4>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]2H)(H)	107.4750	0.000	1	107.4750	0.000	1	107.4750	0.000	1	110.0515	13.277	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:2:4:4:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO){3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	110.0515	13.277	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H)	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6,6]H)(H)	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[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	109.9930	0.000	1	109.9930	0.000	1	109.9930	0.000	1	111.8868	2.195	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,5]-4:C[6]-4:O[5,6]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[6]C[6,6a]HO)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	109.5900	0.000	1	109.5900	0.000	1	109.5900	0.000	1	111.8868	2.195	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[3,5,6]O[5]H)(C[6]C[6]C)(OH)(H)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.5530	0.000	1	112.5530	0.000	1	112.5530	0.000	1	111.8868	2.195	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	111.0090	0.000	1	111.0090	0.000	1	111.0090	0.000	1	111.8868	2.195	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	112.7790	0.000	1	112.7790	0.000	1	112.7790	0.000	1	111.8868	2.195	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.4000	0.156	4	113.4000	0.024	4	112.3881	1.918	7	111.8868	2.195	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	110.6720	0.000	1	110.6720	0.000	1	112.3881	1.918	7	111.8868	2.195	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.1390	0.000	1	112.1390	0.000	1	112.3881	1.918	7	111.8868	2.195	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]O)(OH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]B[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[5,6]C[6]H)(H)	110.3060	0.000	1	110.3060	0.000	1	112.3881	1.918	7	111.8868	2.195	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:2:	4:1:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH)	O(C[6]C[5,6]C[6,6]H)(H)	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[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	109.7345	0.107	2	109.7345	0.011	2	109.7345	0.011	2	110.4690	9.937	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:2:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(H)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	106.2670	0.000	1	106.2670	0.000	1	110.5700	37.032	2	110.4690	9.937	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:2:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5,6])(OC)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5,6])(OC){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	114.8730	0.000	1	114.8730	0.000	1	110.5700	37.032	2	110.4690	9.937	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:2:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5])	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.7360	0.000	1	111.7360	0.000	1	111.7360	0.000	1	110.4690	9.937	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:2:2:	4:4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[6]-4:C-4:	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[6]C[6]HO)(O[5]C[5,6])(OC)	O(C[6]C[5,6]C[6]H)(CH3)	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[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[6]C[6]HO)(O[5]C[5,6])(OC){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CH3)	110.6750	0.000	1	110.6750	0.000	1	110.6750	0.000	1	110.6750	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){2|C<3>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]2H)(H)	112.2160	0.000	1	112.2160	0.000	1	112.2160	0.000	1	110.5496	7.020	7	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	110.4567	3.110	3	110.4567	9.674	3	110.4567	9.674	3	110.5496	7.020	7	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	106.4980	0.000	1	106.4980	0.000	1	106.4980	0.000	1	110.5496	7.020	7	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(C[5]C[5]C)(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(C[5]C[5]C)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.8270	0.000	1	111.8270	0.000	1	111.8270	0.000	1	110.5496	7.020	7	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.9360	0.000	1	111.9360	0.000	1	111.9360	0.000	1	110.5496	7.020	7	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	O(C[6]C[5,6]C[6]H)(CCHH)	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[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCHH)	105.0690	0.000	1	105.0690	0.000	1	106.3700	3.385	2	106.3310	1.697	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	O(C[6]C[5,6]C[6]H)(CH3)	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[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CH3)	107.6710	0.000	1	107.6710	0.000	1	106.3700	3.385	2	106.3310	1.697	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	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[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	106.2530	0.000	1	106.2530	0.000	1	106.2530	0.000	1	106.3310	1.697	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:2:	4:1:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	O(C[6]C[5,6]C[6,6]H)(H)	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[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	111.3843	0.608	6	111.3843	0.370	6	111.3843	0.370	6	110.8337	1.929	10	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:2:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6](C[5,6,6]N[6,6]C[6]N[5])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[5]C[5])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,2|N<3>,6|C<3>}	C[5,6](C[5,6,6]N[6,6]C[6]N[5])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,1|S<1>,3|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	111.5530	0.000	1	111.5530	0.000	1	111.5530	0.000	1	110.8337	1.929	10	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:2:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5])	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5]){2|Br<1>,2|C<3>}	O(C[6]C[5,6]C[6]H)(H)	109.4927	1.972	3	109.4927	3.887	3	109.4927	3.887	3	110.8337	1.929	10	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:2:	4:4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[6]-4:Si-4:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5])	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[5,6]H)(SiC3)	108.0730	0.000	1	108.0730	0.000	1	108.0730	0.000	1	108.0730	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:3:	4:4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]O)(COO)	O(C[6]C[5,6]C[6]H)(SiC3)	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[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]O)(COO){1|C<3>,7|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:3:4:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.1245	2.205	2	109.1245	4.864	2	109.1245	4.864	2	109.1245	4.864	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5,6]2H)(H)	111.0400	0.044	2	111.0400	0.002	2	111.0400	0.002	2	110.5709	9.585	7	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	106.7925	0.896	2	106.7925	0.803	2	106.7925	0.803	2	110.5709	9.585	7	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	111.2100	0.000	1	111.2100	0.000	1	112.7770	6.557	3	110.5709	9.585	7	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]HO)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6]H)(H)	111.3890	0.000	1	111.3890	0.000	1	112.7770	6.557	3	110.5709	9.585	7	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	115.7320	0.000	1	115.7320	0.000	1	112.7770	6.557	3	110.5709	9.585	7	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH)	O(C[6]C[5,6]C[6,6]H)(H)	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[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	108.6270	0.000	1	108.6270	0.000	1	108.6270	0.000	1	110.4093	4.017	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.0220	0.000	1	110.0220	0.000	1	110.0220	0.000	1	110.4093	4.017	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(OH)(H)	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	112.5790	0.000	1	112.5790	0.000	1	112.5790	0.000	1	110.4093	4.017	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:3:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]C[5]C){1|C<4>,1|O<1>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.7747	1.057	7	110.7747	1.117	7	110.6616	1.059	8	110.6616	1.059	8	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:3:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5]C[5]HO)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[5,6]C[6]H)(H)	109.8700	0.000	1	109.8700	0.000	1	110.6616	1.059	8	110.6616	1.059	8	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	113.6220	0.000	1	113.6220	0.000	1	113.6220	0.000	1	113.0995	0.546	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(OH)(H)	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	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[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.5770	0.000	1	112.5770	0.000	1	112.5770	0.000	1	113.0995	0.546	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(SiC3)	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[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:2:	3:4:2:2:	4:4:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[5,6]-3:C[6]-4:S[5]-2:O-2:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC)	O(C[6]C[5,6]C[6a]O[6])(CCHH)	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC){5|C<3>}	O(C[6]C[5,6]C[6a]O[6])(CCHH)	104.7720	0.000	1	104.7720	0.000	1	104.7720	0.000	1	104.7720	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:2:	3:4:4:1:	4:1:	C[5,6]-4:C[6a]-3:S[6]-2:O-2:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(S[6]C[6,6a])(OH)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H)	O(C[6]C[5,6]C[6a]S[6])(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(S[6]C[6,6a])(OH){3|H<1>,7|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H){1|H<1>,7|C<3>}	O(C[6]C[5,6]C[6a]S[6])(H)	108.2390	0.000	1	108.2390	0.000	1	108.2390	0.000	1	108.2390	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:2:	4:3:3:2:	4:1:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6]-4:N[5,6]-3:C[6a]-3:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6a]C[6a]2)(O[6]C[6])(OH)	C[5,6](C[6]C[6a]O[6]O)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	O(C[6]C[5,6]C[6a]O[6])(H)	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6a]C[6a]2)(O[6]C[6])(OH){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6]C[6a]O[6]O)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	O(C[6]C[5,6]C[6a]O[6])(H)	105.5920	0.000	1	105.5920	0.000	1	105.5920	0.000	1	105.5920	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:2:	4:3:3:2:	4:4:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6]-3:C[5]-3:O[5]-2:	C[6]-4:C-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5])	O(C[6]C[5,6]C[6a]O[6])(CH3)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5]){3|H<1>,4|C<3>}	O(C[6]C[5,6]C[6a]O[6])(CH3)	104.1820	0.000	1	104.1820	0.000	1	104.1820	0.000	1	104.1820	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:2:	4:3:4:1:	4:4:	C[5,6]-4:C[6]-3:O-2:O-2:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]OO)(H)	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]OO)(H){1|C<4>,1|O<1>,3|C<3>}	O(C[6]C[5,6]C[6]O)(CH3)	107.7355	7.380	2	107.7355	54.465	2	107.7355	54.465	2	107.7355	54.465	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:2:2:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-3:O-2:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OC)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H)	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OC)2{1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>}	O(C[6]C[5,6]C[6]O)(CH3)	107.2025	7.973	2	107.2025	63.563	2	107.2025	63.563	2	107.2025	63.563	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:3:2:	3:4:4:3:	4:1:	C[5,6]-4:C[6a]-3:C[6]-3:O-2:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]O)(C[6]C[5,6]CH)(C[5]N[5]O)	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]O)(C[6]C[5,6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	O(C[6]C[5,6]C[6a]C[6])(H)	104.9830	0.000	1	104.9830	0.000	1	104.9830	0.000	1	104.9830	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-3:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	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[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,3|C<4>}	O(C[6]C[5,6]C[6]C)(H)	108.3260	0.000	1	108.3260	0.000	1	108.3260	0.000	1	108.3260	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:3:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-3:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O)(COO)(OH)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]CO)(CH3)	O(C[6]C[5,6]C[6]C)(H)	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[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]CO)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	3:4:3:2:	4:1:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:C[5]-3:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5])	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	O(C[6]C[5,6]C[6a]C[6])(H)	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	3:4:3:3:	4:1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|F<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]C)(H)	109.1810	0.000	1	108.9700	0.089	2	108.9700	0.089	2	108.9700	0.089	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	3:4:3:3:	4:1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]C)(H)	108.7590	0.000	1	108.9700	0.089	2	108.9700	0.089	2	108.9700	0.089	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	3:4:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[5]-4:C[6]-4:N[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H)	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|C<4>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H){1|H<1>,6|C<3>}	O(C[6]C[6,6a]C[5,6]C)(H)	110.8250	0.694	2	110.8250	0.482	2	110.8250	0.482	2	110.8250	0.482	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6]C)(H)	111.4250	0.000	1	111.4250	0.000	1	111.4250	0.000	1	111.4250	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	106.6900	0.000	1	106.6900	0.000	1	105.7010	1.051	5	105.3587	1.544	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]C)(H)	105.3115	0.377	2	105.4537	0.993	4	105.7010	1.051	5	105.3587	1.544	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	106.7700	0.000	1	105.4537	0.993	4	105.7010	1.051	5	105.3587	1.544	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	104.4220	0.000	1	105.4537	0.993	4	105.7010	1.051	5	105.3587	1.544	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H)	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6a]C[6]O)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[5,6]C[6a]C[6])(H)	103.6470	0.000	1	103.6470	0.000	1	103.6470	0.000	1	105.3587	1.544	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	4:4:2:4:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]O)(CH3)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]C)(H)	108.9340	0.000	1	108.9340	0.000	1	108.9340	0.000	1	108.9340	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6,6a]C[5,6]C)(H)	110.0640	0.000	1	105.5380	4.407	7	105.5380	4.407	7	105.6108	4.102	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]C)(H)	106.0250	0.000	1	105.5380	4.407	7	105.5380	4.407	7	105.6108	4.102	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[5,5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H)	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){2|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[6]C[6,6a]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,3|C<3>}	O(C[6]C[6,6a]C[5,6]C)(H)	104.5354	0.417	5	105.5380	4.407	7	105.5380	4.407	7	105.6108	4.102	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,5|C<3>}	O(C[6]C[5,6]C[6]C)(H)	104.8480	1.130	2	104.8480	1.277	2	104.8480	1.277	2	105.6108	4.102	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	108.8680	0.000	1	108.8680	0.000	1	106.6285	10.031	2	105.6108	4.102	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[5,6]C[6]C)(H)	104.3890	0.000	1	104.3890	0.000	1	106.6285	10.031	2	105.6108	4.102	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H){1|F<1>,1|H<1>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.2565	3.070	2	109.2565	9.422	2	109.9347	1.926	7	109.9347	1.926	7	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.2150	0.167	3	110.2150	0.028	3	109.9347	1.926	7	109.9347	1.926	7	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.1925	0.889	2	110.1925	0.790	2	109.9347	1.926	7	109.9347	1.926	7	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	111.4080	0.000	1	111.4080	0.000	1	111.4080	0.000	1	111.4080	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:2:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H){2|C<3>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.0090	0.000	1	111.0090	0.000	1	111.0090	0.000	1	111.0090	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:3:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(C[5]C[5]H)(H){1|Cl<1>,1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	107.0150	0.000	1	107.7440	3.159	3	108.2288	3.046	4	108.2288	3.046	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.7700	0.000	1	107.7440	3.159	3	108.2288	3.046	4	108.2288	3.046	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	106.4470	0.000	1	107.7440	3.159	3	108.2288	3.046	4	108.2288	3.046	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H)	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H){1|As<3>,1|S<2>,2|H<1>}	C[5,6](O[5,6]As[5,6])(C[5]S[5]HH)(C[6]C[6]HO)(H){1|S<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.6830	0.000	1	109.6830	0.000	1	108.2288	3.046	4	108.2288	3.046	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	110.7750	0.000	1	108.4730	10.598	2	108.0146	11.604	7	107.9794	9.957	8	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	106.1710	0.000	1	108.4730	10.598	2	108.0146	11.604	7	107.9794	9.957	8	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	104.7980	0.652	2	107.8312	14.610	5	108.0146	11.604	7	107.9794	9.957	8	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	111.9710	0.663	2	107.8312	14.610	5	108.0146	11.604	7	107.9794	9.957	8	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	105.6180	0.000	1	107.8312	14.610	5	108.0146	11.604	7	107.9794	9.957	8	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	107.7330	0.000	1	107.7330	0.000	1	107.7330	0.000	1	107.9794	9.957	8	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	2:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[5,6]2H)(H)	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:3:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H){5|C<3>}	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[5,6]C[6]H)(CH3)	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	113.2170	7.504	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:3:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H)	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){2|H<1>,3|C<3>,4|C<4>}	O(C[6]C[5,6]C[6]H)(SiC3)	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	113.2170	7.504	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:3:4:3:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	O(C[6]C[5,6]C[6]H)(H)	106.7780	0.000	1	106.7780	0.000	1	106.7780	0.000	1	106.7780	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.8960	0.000	1	111.1713	5.472	3	111.1713	5.472	3	111.1713	5.472	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.7470	0.000	1	111.1713	5.472	3	111.1713	5.472	3	111.1713	5.472	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.8710	0.000	1	111.1713	5.472	3	111.1713	5.472	3	111.1713	5.472	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCHH)	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:2:2:	4:1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[6,6a]O[5]2)(C[6,6]C[6]2O[6])(OH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[6,6a]O[5]2)(C[6,6]C[6]2O[6])(OH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	110.1955	8.934	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:2:2:	4:1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6]-4:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	112.3090	0.000	1	112.3090	0.000	1	112.3090	0.000	1	110.1955	8.934	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:2:2:	4:4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[5,6]C[6,6a]O[5]2)(OC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2	O(C[6]C[5,6]C[6,6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]O[6])(C[5,6]C[6,6a]O[5]2)(OC)(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6,6]H)(CC[6a]HH)	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:3:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH){2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.5510	2.452	2	110.5510	6.014	2	110.5510	6.014	2	110.5510	6.014	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:3:3:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[6]-4:Si-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6]H)(SiC3)	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[4x6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6a]-3:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6]C[5,6,6a]C[5]H)(OH)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[4x6]HO)(C[5]C[5]CH)(H)	O(C[6]C[4x6]C[5,6]H)(H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6]C[5,6,6a]C[5]H)(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[4x6]HO)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[4x6]C[5,6]H)(H)	111.6230	0.000	1	111.6230	0.000	1	111.6230	0.000	1	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	O(C[6]C[5,6,6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6]C[5,6,6]C[5,6]H)(H)	111.8470	0.000	1	111.8470	0.000	1	111.8470	0.000	1	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[5,6]2H)(H)	111.0580	0.000	1	111.0580	0.000	1	110.8967	0.148	3	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	O(C[6]C[5,6]2H)(H)	110.8160	0.506	2	110.8160	0.256	2	110.8967	0.148	3	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[5,6]C[6,6]H)(H)	106.8650	0.000	1	106.8650	0.000	1	106.8650	0.000	1	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]O[5]O[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]O[5]O[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.5900	0.000	3	107.5900	0.000	3	107.5900	0.000	3	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H)	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H){1|I<1>,4|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.3231	0.538	16	109.3231	0.289	16	109.1657	0.692	17	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	106.6470	0.000	1	106.6470	0.000	1	109.1657	0.692	17	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	106.9682	3.867	4	106.9682	14.954	4	107.3723	9.480	6	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<1>,2|S<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.1805	0.760	2	108.1805	0.578	2	107.3723	9.480	6	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.4300	0.000	1	110.4300	0.000	1	108.7958	4.092	13	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.3020	0.000	1	109.3020	0.000	1	108.7958	4.092	13	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.9870	0.000	1	110.9550	0.002	2	108.7958	4.092	13	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.9230	0.000	1	110.9550	0.002	2	108.7958	4.092	13	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.3710	0.000	1	108.3710	0.000	1	108.7958	4.092	13	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	106.7570	0.000	1	108.3790	5.262	2	108.7958	4.092	13	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.0010	0.000	1	108.3790	5.262	2	108.7958	4.092	13	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.1610	0.556	2	107.9367	4.651	3	108.7958	4.092	13	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	105.4880	0.000	1	107.9367	4.651	3	108.7958	4.092	13	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	107.9217	2.937	3	107.9217	8.624	3	108.7958	4.092	13	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:S[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5]OO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HO)(C[5]C[5]HH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HO)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	109.8133	1.900	3	109.8133	3.611	3	109.8133	3.611	3	109.0095	3.715	49	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	O(C[6]C[5,6,6]C[5,6]H)(CH3)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[5,6]H)(CH3)	111.7810	0.000	1	111.7810	0.000	1	111.7810	0.000	1	107.5468	6.371	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	107.6970	0.000	1	107.6970	0.000	1	106.7893	0.993	3	107.5468	6.371	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	105.7230	0.000	1	105.7230	0.000	1	106.7893	0.993	3	107.5468	6.371	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	106.9480	0.000	1	106.9480	0.000	1	106.7893	0.993	3	107.5468	6.371	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:S-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	105.5850	0.000	1	105.5850	0.000	1	105.5850	0.000	1	107.5468	6.371	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	105.3840	0.000	1	105.3840	0.000	1	105.3840	0.000	1	105.3840	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:2:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[6]-4:C-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H)	C[5,6](C[6,6a]C[6,6a]O[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[6,6a]C[6,6a]O[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	106.7060	0.000	1	106.7060	0.000	1	106.7060	0.000	1	106.7060	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:3:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HO)(C[5]N[5]O)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.1720	0.000	1	108.1720	0.000	1	107.6405	0.565	2	107.6405	0.565	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:3:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HO)(C[5]N[5]O)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HO)(C[5]N[5]O){4|C<3>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	107.1090	0.000	1	107.1090	0.000	1	107.6405	0.565	2	107.6405	0.565	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:3:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-3:	C[6]-4:C-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(CCO)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(CCO){3|C<3>,5|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	105.3710	0.000	1	105.3710	0.000	1	105.3710	0.000	1	106.9335	4.883	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:3:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[6]-4:C-4:	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(NOO)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(NOO){1|S<4>,3|C<3>,5|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	106.9335	4.883	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HO)(CH3){2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	107.3060	0.598	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	106.7590	0.000	1	106.7590	0.000	1	106.7590	0.000	1	107.3060	0.598	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-4:	C[6]-4:S-4:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(OS)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)2(C[6]C[6]HO)	O(C[6]C[5,6]C[6]H)(SCOO)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(OS)(H){4|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)2(C[6]C[6]HO){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[5,6]C[6]H)(SCOO)	105.9530	0.000	1	105.9530	0.000	1	105.9530	0.000	1	108.5520	13.510	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	3:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6]-4:Si-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	108.5520	13.510	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	O(C[6]C[3,6]C[5,6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,2|C<4>}	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[3,6]C[5,6]H)(H)	109.7884	2.040	5	109.7884	4.161	5	109.7884	4.161	5	109.5493	2.994	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	O(C[6]C[5,6,6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6]C[5,6,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[5,6]H)(H)	109.4465	1.767	6	109.4465	3.122	6	109.4465	3.122	6	109.5493	2.994	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:2:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5,6]2H)(H)	108.9710	0.000	1	108.9710	0.000	1	108.9710	0.000	1	109.5493	2.994	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:2:2:1:	4:4:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:O[5,6]-2:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OC)(H)	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H)	O(C[6]C[3,6]C[5,6]H)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OC)(H){1|H<1>,2|C<4>}	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[3,6]C[5,6]H)(CC[6a]HH)	109.8835	3.394	4	109.8835	11.517	4	109.8835	11.517	4	109.8835	11.517	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:2:2:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO){1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5,6]2H)(H)	111.3480	0.000	1	111.3480	0.000	1	111.3480	0.000	1	111.3480	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O(C[6]C[3,6]C[5,6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[6]C[3,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[5,6]H)(H)	109.9772	1.998	5	109.9772	3.993	5	109.9772	3.993	5	109.0391	4.697	10	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]2H)(H)	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	109.0391	4.697	10	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5]N[5,5,6])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[5]N[5,5,6])(C[6]C[6]HO)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	106.1260	1.311	2	106.1260	1.719	2	106.1260	1.719	2	109.0391	4.697	10	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:2:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,5,6])(C[6]C[6]HO)(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.7450	0.255	2	108.7450	0.065	2	108.7450	0.065	2	109.0391	4.697	10	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:S-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O(C[6]C[5,6]2H)(SNOO)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]2H)(SNOO)	111.0150	0.000	1	111.0150	0.000	1	111.0150	0.000	1	111.5740	0.625	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCHH)	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	111.5740	0.625	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]2H)(H)	108.1930	0.000	1	109.7430	2.392	3	109.7430	2.392	3	109.7430	2.392	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){3|C<4>,3|H<1>}	O(C[6]C[5,6]2H)(H)	110.5180	1.086	2	109.7430	2.392	3	109.7430	2.392	3	109.7430	2.392	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:3:3:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HO)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]HO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O(C[6]C[5,6]C[6]H)(H)	105.9325	0.961	2	105.9325	0.923	2	105.9325	0.923	2	105.9325	0.923	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	O(C[6]C[5,5,6,6]C[5,6]H)(H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[6]C[5,5,6,6]HO)(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){4|C<4>,4|H<1>}	O(C[6]C[5,5,6,6]C[5,6]H)(H)	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	107.1760	13.330	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	105.5830	3.381	2	105.5830	11.434	2	105.5830	11.434	2	107.1760	13.330	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6,6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	O(C[6]C[5,6,6]C[5,6]H)(H)	101.4340	0.000	1	101.4340	0.000	1	101.4340	0.000	1	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,3|H<1>,6|C<4>}	O(C[6]C[5,6]2H)(H)	110.0350	0.287	2	110.0350	0.082	2	110.0350	0.082	2	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	O(C[6]C[5,6]2H)(H)	112.9580	0.000	1	112.9580	0.000	1	109.5643	6.897	22	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	O(C[6]C[5,6]2H)(H)	112.3080	0.000	1	109.4593	3.887	6	109.5643	6.897	22	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	O(C[6]C[5,6]2H)(H)	108.8896	1.557	5	109.4593	3.887	6	109.5643	6.897	22	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,7|H<1>}	O(C[6]C[5,6]2H)(H)	109.7150	1.437	2	109.7150	2.065	2	109.5643	6.897	22	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]2H)(H)	106.2190	0.000	1	106.2190	0.000	1	109.5643	6.897	22	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,2|O<2>,4|C<4>}	O(C[6]C[5,6]2H)(H)	110.8100	0.000	1	110.8100	0.000	1	109.5643	6.897	22	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]2H)(H)	107.6960	0.000	1	107.6960	0.000	1	109.5643	6.897	22	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]2H)(H)	111.2195	0.354	2	111.2195	0.126	2	109.5643	6.897	22	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]2H)(H)	104.0185	0.146	2	109.2632	12.736	8	109.5643	6.897	22	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]2H)(H)	111.0115	1.776	6	109.2632	12.736	8	109.5643	6.897	22	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	111.1600	0.000	1	111.1600	0.000	1	111.3560	0.077	2	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	111.5520	0.000	1	111.5520	0.000	1	111.3560	0.077	2	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H)	C[5,6](C[5,6]C[3,6]C[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[3,6]C[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.7080	0.000	1	111.7080	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	104.3350	0.000	1	104.3350	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	110.9227	0.441	3	110.9227	0.195	3	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	111.0389	2.267	7	111.0389	5.141	7	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.7270	0.000	1	110.7270	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	111.4140	0.000	1	111.4140	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	111.1830	0.000	1	111.1830	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	109.7570	0.000	1	109.7570	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,5]C[6]N)(C[6]C[6]HO)(O[5]C[5,5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|S<2>,2|C<4>}	C[5,6](C[5,6]C[5,5]C[6]N)(C[6]C[6]HO)(O[5]C[5,5])(H){2|C<3>,2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.0240	0.000	1	108.0240	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.4050	0.000	1	110.4050	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.5945	1.247	4	108.5945	1.555	4	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.4245	0.211	2	109.6823	1.675	3	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.1980	0.000	1	109.6823	1.675	3	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	111.6820	0.000	1	111.6820	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	115.7710	0.000	1	115.7710	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.7300	0.369	2	108.7562	1.531	4	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.7825	2.111	2	108.7562	1.531	4	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.6190	0.000	1	109.5890	1.304	4	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	110.0730	0.000	1	109.5890	1.304	4	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.8320	1.618	2	109.5890	1.304	4	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	108.9330	0.000	1	108.9330	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.4290	0.000	1	108.3960	0.002	2	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.3630	0.000	1	108.3960	0.002	2	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.4600	0.000	1	113.4600	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.9215	4.402	2	107.9215	19.375	2	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	110.1540	0.000	1	110.6870	0.568	2	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.2200	0.000	1	110.6870	0.568	2	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	104.3710	0.000	1	109.1880	17.631	3	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.1190	0.000	1	109.1880	17.631	3	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.0740	0.000	1	109.1880	17.631	3	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.6320	0.000	1	113.5160	0.015	3	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.3860	0.000	1	113.5160	0.015	3	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.5300	0.000	1	113.5160	0.015	3	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	111.7510	0.000	1	111.7510	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	110.0270	0.000	1	110.0270	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.2320	0.000	1	109.2320	0.000	1	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.6060	0.000	1	108.6623	2.353	7	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.6717	1.680	6	108.6623	2.353	7	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.6670	0.479	3	107.6670	0.229	3	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.5027	0.886	3	109.5027	0.785	3	109.8388	5.031	65	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(S[5]S[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(S[5]S[5])(H){1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	105.4400	0.000	1	105.4400	0.000	1	105.4400	0.000	1	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	105.3950	0.000	1	108.7922	5.626	4	108.7922	5.626	4	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.6250	0.000	1	108.7922	5.626	4	108.7922	5.626	4	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.8980	0.000	1	108.7922	5.626	4	108.7922	5.626	4	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.2510	0.000	1	108.7922	5.626	4	108.7922	5.626	4	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5]C)(C[6]C[6,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5]C)(C[6]C[6,6]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	108.7655	0.671	2	108.7655	0.450	2	108.7655	0.450	2	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H){2|C<3>,4|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	105.7260	1.107	5	105.7260	1.227	5	105.7260	1.227	5	109.4319	6.404	104	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[6]-4:N[6]-3:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(N[6]C[6]2)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5])(H){1|C<3>,1|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(N[6]C[6]2)	106.0900	0.000	1	106.0900	0.000	1	106.0900	0.000	1	106.8410	1.128	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:P-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(PC[6a]2)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(PC[6a]2)	107.5920	0.000	1	107.5920	0.000	1	107.5920	0.000	1	106.8410	1.128	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(CC[6a]HH)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5,6]2H)(CC[6a]HH)	109.3710	0.000	1	109.3710	0.000	1	110.2465	1.533	2	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]O[5])(C[6]C[5,6]HO)(O[5]C[5])(H){1|O<2>,3|H<1>,6|C<4>}	O(C[6]C[5,6]2H)(CH3)	111.1220	0.000	1	111.1220	0.000	1	110.2465	1.533	2	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:P-4:	C[6](C[5,6]C[5,6]O[5]H)2(OP)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(PO3)	C[6](C[5,6]C[5,6]O[5]H)2(OP)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]2H)(PO3)	109.7310	1.951	4	109.7310	3.805	4	109.7310	3.805	4	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:S-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]2H)(SNOO)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]2H)(SNOO)	102.5690	0.000	1	102.5690	0.000	1	102.5690	0.000	1	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[5]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H)	O(C[6]C[5,6]C[6,6]H)(C[5]C[5]O[5]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6,6]H)(C[5]C[5]O[5]C)	119.4360	0.000	1	119.4360	0.000	1	119.4360	0.000	1	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[6]-4:S-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(N[5]N[5])(H)	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(N[5]N[5])(H){1|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	107.0980	3.101	2	107.0980	9.618	2	107.0980	9.618	2	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CH3)	111.5000	0.091	2	111.5000	0.008	2	110.0268	7.612	18	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[6]O)(C[6]C[6]HO)(O[5]C[5,5])(H){1|C<3>,2|O<2>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	113.0980	0.000	1	113.0980	0.000	1	110.0268	7.612	18	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(CH3)	107.9870	0.758	2	107.9870	0.575	2	110.0268	7.612	18	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CH3)	110.3860	0.000	1	110.3860	0.000	1	110.0268	7.612	18	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5,6])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	111.0225	2.379	2	111.0225	5.662	2	110.0268	7.612	18	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CH3)	103.6040	0.000	1	103.6040	0.000	1	110.0268	7.612	18	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	113.1840	0.000	1	113.1840	0.000	1	110.0268	7.612	18	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[5,6]C[6]H)(CH3)	113.0470	0.000	1	113.0470	0.000	1	110.0268	7.612	18	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CHHO)	111.8890	0.000	1	111.8890	0.000	1	110.0268	7.612	18	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	112.8750	0.000	1	112.8750	0.000	1	110.0268	7.612	18	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(O[5]C[5])(H){2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	108.6052	1.782	4	108.6052	3.177	4	110.0268	7.612	18	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	106.9590	0.000	1	106.9590	0.000	1	110.0268	7.612	18	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]2H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(C[6]C[6]2H)	113.8365	0.754	2	113.8365	0.569	2	111.8570	4.100	5	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	109.8635	0.214	2	109.8635	0.046	2	111.8570	4.100	5	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	111.8850	0.000	1	111.8850	0.000	1	111.8570	4.100	5	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:P-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(PC[6a]2O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(PC[6a]2O)	112.7090	2.529	2	112.7090	6.394	2	112.7090	6.394	2	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(SiC3)	108.5350	0.502	2	108.5350	0.252	2	107.8725	0.859	4	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	106.6770	0.000	1	106.6770	0.000	1	107.8725	0.859	4	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(SiC3)	107.7430	0.000	1	107.7430	0.000	1	107.8725	0.859	4	110.0588	10.230	39	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	C[6]-4:H-1:	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH)	O(C[6]C[3,6]C[5,6]H)(H)	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH){1|O<2>,2|H<1>,6|C<4>}	O(C[6]C[3,6]C[5,6]H)(H)	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	109.5955	4.258	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6,6]HO)(O[5]C[5])(OH)	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	109.5955	4.258	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH){2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	106.9310	0.000	1	106.9310	0.000	1	106.9310	0.000	1	109.5955	4.258	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O[5]C[5])2	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(O[5]C[5])2{2|C<3>,2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.9310	0.000	1	111.9310	0.000	1	111.9310	0.000	1	109.5955	4.258	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:3:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H)	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H){2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,3x6]C[6]H)(C[6]C[6]HO)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.3490	3.773	2	109.3490	14.236	2	109.3490	14.236	2	108.4608	4.830	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:3:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	107.4310	0.000	1	107.4310	0.000	1	107.8687	1.226	3	108.4608	4.830	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:3:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CCC){1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.0875	1.471	2	108.0875	2.165	2	107.8687	1.226	3	108.4608	4.830	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[4x5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H)	C[5,6](C[4x5,6,6]C[3x5,3x6]C[3x5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[4x5,6,6]C[3x5,3x6]C[3x5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	109.9250	0.005	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(CH3){2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	109.9250	0.005	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(O[5]C[5,6])(CCHH)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H){1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(O[5]C[5,6])(CCHH){2|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	106.5220	0.000	1	106.5220	0.000	1	106.5220	0.000	1	107.7535	3.468	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	109.3460	0.000	2	109.3460	0.000	2	108.1640	4.191	3	107.7535	3.468	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:2:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH){1|Br<1>,1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	105.8000	0.000	1	105.8000	0.000	1	108.1640	4.191	3	107.7535	3.468	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[3,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[3,5,6]HO)(C[5]C[3,5]C)(H)	O(C[6]C[3,5,6]C[5,6]H)(H)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,2|O<2>,6|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[3,5,6]HO)(C[5]C[3,5]C)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[3,5,6]C[5,6]H)(H)	111.1880	0.000	1	111.1880	0.000	1	111.1880	0.000	1	109.3502	5.345	13	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H){2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]2H)(H)	107.2280	0.982	3	107.2280	0.964	3	107.2280	0.964	3	109.3502	5.345	13	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	107.4347	2.056	3	107.4347	4.227	3	107.4347	4.227	3	109.3502	5.345	13	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]BrH)(C[6]C[6]HO)(N[5]C[5]C)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|Br<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]BrH)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.6280	0.000	1	112.6280	0.000	1	111.0628	1.653	6	109.3502	5.345	13	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.2650	0.000	1	112.2650	0.000	1	111.0628	1.653	6	109.3502	5.345	13	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.3580	0.000	1	110.3580	0.000	1	111.0628	1.653	6	109.3502	5.345	13	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H){1|C<4>,1|O<1>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.4120	0.000	1	110.4120	0.000	1	111.0628	1.653	6	109.3502	5.345	13	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|S<4>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H){1|N<3>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.3570	1.567	2	110.3570	2.455	2	111.0628	1.653	6	109.3502	5.345	13	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(C[5]O[5]O)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(C[5]O[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	110.6695	0.284	2	110.6695	0.080	2	110.6695	0.080	2	109.4847	4.252	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	107.1150	0.000	1	107.1150	0.000	1	107.1150	0.000	1	109.4847	4.252	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HO)(C[5]O[5]O)(OH)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H){1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HO)(C[5]O[5]O)(OH){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.0910	0.000	1	112.0910	0.000	1	112.0910	0.000	1	112.0910	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:2:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	105.8740	0.000	1	105.8740	0.000	1	107.4435	4.927	2	107.4435	4.927	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:2:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH){1|C<4>,2|O<2>,5|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	109.0130	0.000	1	109.0130	0.000	1	107.4435	4.927	2	107.4435	4.927	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:3:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[5]O[5]O)(C[6]C[6]H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[5]O[5]O)(C[6]C[6]H){2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	107.6987	1.439	3	107.6987	2.070	3	107.6987	2.070	3	107.7930	2.101	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:3:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|Fe<10>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	106.4860	0.000	1	106.4860	0.000	1	107.9345	4.196	2	107.7930	2.101	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:3:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6]H)(H)	109.3830	0.000	1	109.3830	0.000	1	107.9345	4.196	2	107.7930	2.101	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6]-4:C[3,6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HO)(C[5]O[5]O)(CH3)	O(C[6]C[3,6]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[3,6]C[3,6]O[3]H)(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HO)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[3,6]C[5,6]H)(H)	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	111.4042	4.575	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.3740	0.554	3	108.3740	0.307	3	108.3740	0.307	3	111.4042	4.575	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]HO)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	111.9360	0.000	1	111.9360	0.000	1	111.9360	0.000	1	111.4042	4.575	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.0865	0.134	2	112.8837	1.915	3	112.7405	1.260	6	111.4042	4.575	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	114.4780	0.000	1	112.8837	1.915	3	112.7405	1.260	6	111.4042	4.575	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.0830	0.000	1	113.2175	0.036	2	112.7405	1.260	6	111.4042	4.575	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.3520	0.000	1	113.2175	0.036	2	112.7405	1.260	6	111.4042	4.575	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:3:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.3570	0.000	1	111.3570	0.000	1	112.7405	1.260	6	111.4042	4.575	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H)	O(C[6]C[5,5,6]C[5,6]H)(H)	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,5|H<1>,6|C<4>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<4>}	O(C[6]C[5,5,6]C[5,6]H)(H)	108.1230	0.000	1	108.1230	0.000	1	108.1230	0.000	1	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[5,6]2H)(H)	110.4200	2.243	2	110.4200	5.031	2	111.0953	7.117	6	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,5|H<1>}	O(C[6]C[5,6]2H)(H)	106.8650	0.000	1	106.8650	0.000	1	111.0953	7.117	6	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5,6]2H)(H)	112.9557	0.826	3	112.9557	0.683	3	111.0953	7.117	6	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.7390	0.000	1	113.7390	0.000	1	113.7390	0.000	1	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){3|C<4>,9|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.0810	0.203	3	110.0810	0.041	3	110.0810	0.041	3	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H)	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){4|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	111.5230	0.000	1	111.5230	0.000	1	112.7341	3.180	28	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){3|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.8260	0.123	2	109.8260	0.015	2	112.7341	3.180	28	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.6554	0.674	12	113.6554	0.455	12	112.7341	3.180	28	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.7406	0.610	5	112.7406	0.372	5	112.7341	3.180	28	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.8423	2.592	3	109.8423	6.720	3	112.7341	3.180	28	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	115.8100	0.000	1	115.8100	0.000	1	112.7341	3.180	28	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.9050	0.000	1	111.9050	0.000	1	112.7341	3.180	28	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.6710	0.327	2	113.6710	0.107	2	112.7341	3.180	28	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.2270	0.000	1	113.2270	0.000	1	112.7341	3.180	28	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.0610	0.000	2	110.0610	0.000	2	108.9683	3.582	3	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,5|C<4>}	C[5,6](N[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	106.7830	0.000	1	106.7830	0.000	1	108.9683	3.582	3	111.9556	5.007	42	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H)	O(C[6]C[3,6]C[5,6]H)(CH3)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[3,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[3,6]C[5,6]H)(CH3)	107.1520	0.000	1	107.1520	0.000	1	107.1520	0.000	1	109.5026	5.262	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H)	O(C[6]C[5,6]2H)(CC[6a]HH)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[5,6]2H)(CC[6a]HH)	110.6850	0.000	1	110.6850	0.000	1	110.6850	0.000	1	109.5026	5.262	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H)	O(C[6]C[5,6]2H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[5,6]HO)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]2H)(CH3)	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	109.5026	5.262	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	110.3370	0.000	1	110.3370	0.000	1	110.3370	0.000	1	109.5026	5.262	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]S)(C[5,6]C[5]S[6]2)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>,2|S<2>}	C[5,6](C[5,6]C[5]C[6]S)(C[5,6]C[5]S[6]2)(C[6]C[6]HO)(H){1|C<3>,3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	105.7140	0.000	1	105.7140	0.000	1	105.7140	0.000	1	109.5026	5.262	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	112.2730	0.000	1	112.8710	1.089	3	110.4613	6.167	9	109.5026	5.262	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	113.1700	1.281	2	112.8710	1.089	3	110.4613	6.167	9	109.5026	5.262	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	107.7460	0.000	1	109.3276	5.219	5	110.4613	6.167	9	109.5026	5.262	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(H){2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	109.7230	2.432	4	109.3276	5.219	5	110.4613	6.167	9	109.5026	5.262	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HO)(H){1|O<2>,5|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	108.9010	0.000	1	108.9010	0.000	1	110.4613	6.167	9	109.5026	5.262	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	108.2040	0.000	1	108.2040	0.000	1	108.2040	0.000	1	109.5026	5.262	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,6|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	107.9760	0.147	2	107.9760	0.022	2	108.8997	2.570	3	109.5026	5.262	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	110.7470	0.000	1	110.7470	0.000	1	108.8997	2.570	3	109.5026	5.262	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[4,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH)	O(C[6]C[4,6]C[5,6]H)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H){1|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH){4|C<4>,5|H<1>}	O(C[6]C[4,6]C[5,6]H)(H)	108.6430	0.000	1	108.6430	0.000	1	108.6430	0.000	1	110.4526	4.553	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H){1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH){1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[5,6]2H)(H)	112.5200	0.000	1	112.5200	0.000	1	112.5200	0.000	1	110.4526	4.553	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:C[5]-4:C[5]-4:O[6]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H)	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H){2|O<2>,4|H<1>,5|C<4>}	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6]){1|C<4>,1|N<3>,7|H<1>}	O(C[6]C[5,6]2H)(H)	112.8057	0.557	3	112.8057	0.310	3	112.8057	0.310	3	110.4526	4.553	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	110.4526	4.553	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.2460	0.000	1	113.2460	0.000	1	110.6674	2.070	8	110.4526	4.553	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO){1|C<4>,2|O<2>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.7650	0.000	1	111.7650	0.000	1	110.6674	2.070	8	110.4526	4.553	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,2|O<2>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.0830	0.389	2	111.0830	0.151	2	110.6674	2.070	8	110.4526	4.553	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.6560	0.000	1	109.3143	0.223	3	110.6674	2.070	8	110.4526	4.553	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.1435	0.521	2	109.3143	0.223	3	110.6674	2.070	8	110.4526	4.553	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.2190	0.000	1	110.2190	0.000	1	110.6674	2.070	8	110.4526	4.553	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(O[5]C[5])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.6440	0.000	1	111.6440	0.000	1	108.3115	6.403	4	110.4526	4.553	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	107.2325	2.097	2	107.2007	2.201	3	108.3115	6.403	4	110.4526	4.553	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){3|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<2>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	107.1370	0.000	1	107.2007	2.201	3	108.3115	6.403	4	110.4526	4.553	18	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	109.5793	2.589	3	109.5793	6.704	3	108.0089	5.126	7	108.5074	5.025	9	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	107.0893	1.341	3	106.8310	1.466	4	108.0089	5.126	7	108.5074	5.025	9	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CH3)	106.0560	0.000	1	106.8310	1.466	4	108.0089	5.126	7	108.5074	5.025	9	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(O[5]C[5])	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CHHO)	111.1520	0.000	1	111.1520	0.000	1	111.1520	0.000	1	108.5074	5.025	9	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[6]-4:C-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,2|C<3>,8|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	109.3530	0.000	1	109.3530	0.000	1	109.3530	0.000	1	108.5074	5.025	9	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]O[5]HH)(C[6]C[6]HO)(C[6]C[6]H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]O[5]HH)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	109.0890	1.717	2	109.0890	2.948	2	109.0890	2.948	2	109.9864	2.051	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HO)(C[5]C[5]H){1|O<1>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	109.8140	0.000	1	109.8140	0.000	1	109.9335	0.029	2	109.9864	2.051	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,1|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.0530	0.000	1	110.0530	0.000	1	109.9335	0.029	2	109.9864	2.051	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]S)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H){1|S<4>,3|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]S){1|C<4>,1|O<2>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.8870	0.000	1	111.8870	0.000	1	111.8870	0.000	1	109.9864	2.051	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(COO)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(COO){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	106.8650	2.930	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[5]C[5]O)	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H){1|O<1>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HO)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,8|H<1>}	O(C[6]C[5,6]C[6]H)(CHHO)	106.3325	0.332	2	106.3325	0.110	2	106.3325	0.110	2	106.8650	2.930	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:3:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:C-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O)	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]HO)(C[5]C[5]O){1|C<4>,1|O<1>,6|H<1>}	O(C[6]C[5,6]C[6]H)(CHHO)	105.4550	0.000	1	105.4550	0.000	1	105.4550	0.000	1	106.8650	2.930	4	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[3,5]C[3,5]C[3]O[3])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[3,5]C[3,5]C[3]O[3])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	O(C[6]C[5,6]2H)(H)	108.1830	0.000	1	108.1830	0.000	1	108.1830	0.000	1	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	O(C[6]C[5,6]2H)(H)	109.6910	0.000	1	110.7253	0.494	6	110.7253	0.494	6	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	O(C[6]C[5,6]2H)(H)	111.0840	0.492	4	110.7253	0.494	6	110.7253	0.494	6	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	O(C[6]C[5,6]2H)(H)	110.3250	0.000	1	110.7253	0.494	6	110.7253	0.494	6	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,8|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.5305	2.081	4	113.5305	4.330	4	113.5305	4.330	4	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	108.0840	0.000	1	108.0840	0.000	1	110.3102	8.588	5	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.4835	0.848	2	113.4835	0.719	2	110.3102	8.588	5	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	108.2500	0.219	2	108.2500	0.048	2	110.3102	8.588	5	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.8430	0.000	1	110.8430	0.000	1	110.8430	0.000	1	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HO)(CH3){2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.5760	0.000	1	110.5760	0.000	1	110.7781	2.247	127	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.2460	0.000	1	110.6887	2.143	116	110.7781	2.247	127	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.8615	1.650	2	110.6887	2.143	116	110.7781	2.247	127	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.6807	1.474	113	110.6887	2.143	116	110.7781	2.247	127	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3){4|C<4>,8|H<1>}	O(C[6]C[5,6]C[6]H)(H)	114.6960	0.000	1	114.6960	0.000	1	110.7781	2.247	127	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.7075	1.415	2	110.7075	2.002	2	110.7781	2.247	127	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.4230	0.000	1	111.4230	0.000	1	110.7781	2.247	127	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.4510	0.000	1	113.4510	0.000	1	110.7781	2.247	127	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	111.4870	0.000	1	112.1545	0.891	2	110.7781	2.247	127	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.8220	0.000	1	112.1545	0.891	2	110.7781	2.247	127	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	110.4580	2.025	2	110.4580	4.101	2	110.7781	2.247	127	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CC[6]HH)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CC[6]HH){1|C<4>,1|O<1>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	112.1420	0.000	1	112.1420	0.000	1	110.7781	2.247	127	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,5|C<3>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	113.2955	0.170	2	113.2955	0.029	2	113.2955	0.029	2	110.8524	2.641	146	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:Si-4:	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<2>,5|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	111.2270	0.000	1	111.3970	0.058	2	111.3970	0.058	2	108.6873	5.033	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:Si-4:	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(SiC3)	111.5670	0.000	1	111.3970	0.058	2	111.3970	0.058	2	108.6873	5.033	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	107.8780	0.000	1	107.6690	1.528	4	107.6690	1.528	4	108.6873	5.033	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	107.5993	1.504	3	107.6690	1.528	4	107.6690	1.528	4	108.6873	5.033	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]O)(C[6]C[6]HO)(CH3)	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]O)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C[6]H)	112.6800	0.000	1	112.6800	0.000	1	112.6800	0.000	1	108.6873	5.033	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(CCHH)	105.4790	0.000	1	105.4790	0.000	1	107.0843	2.283	3	108.6873	5.033	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	107.8870	0.837	2	107.8870	0.701	2	107.0843	2.283	3	108.6873	5.033	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	O(C[6]C[5,6]C[6]H)(SiC3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	108.6873	5.033	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:S-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H)	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]HH)(C[6]C[6]HO)	O(C[6]C[5,6]C[6]H)(SCOO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H){1|C<4>,2|C<3>,8|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(SCOO)	107.0920	0.000	1	107.0920	0.000	1	107.0920	0.000	1	108.6873	5.033	12	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:2:	2:4:2:1:	4:1:	C[5,6]-4:C[6]-4:O-2:O-2:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]O)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2{1|H<1>,1|N<3>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]OO)(O[5]C[5])(H){1|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]O)(H)	107.8785	3.464	2	107.8785	12.000	2	107.8785	12.000	2	107.8785	12.000	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:2:	3:3:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:C-2:	C[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(SiC3)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]C)(SiC3)	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:2:	4:2:4:1:	4:4:	C[5,6]-4:C[6]-4:O-2:O-2:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H)	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2{2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,4x6]C[6]2)(O[5]C[5,3x6])(C[6]C[6]OO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]O)(CH3)	110.1205	2.601	2	110.1205	6.768	2	110.1205	6.768	2	110.1205	6.768	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:2:	4:4:2:2:	4:1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH)	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6])	O(C[6]C[5,6]C[6]O)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]O)(H)	105.1930	0.000	1	105.1930	0.000	1	105.1930	0.000	1	105.1930	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:2:	4:4:2:2:	4:4:	C[5,6]-4:C[6]-4:O-2:O-2:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[6]-4:C-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH)	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6])	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]O)(CH3)	113.3510	0.000	1	113.3510	0.000	1	113.3510	0.000	1	113.3510	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:2:2:	4:4:3:3:	4:1:	C[5,6]-4:C[6]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HO)(O[6]C[6])(OH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H)	O(C[6]C[5,6]C[6]O[6])(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HO)(O[6]C[6])(OH){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]O[6])(H)	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	2:4:4:3:	4:4:	C[5,6]-4:C[6]-4:C-3:O-2:	O[5,6]-2:C[5]-4:C[6]-4:C-3:	C[6]-4:Si-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]CO)(COO)	O(C[6]C[5,6]C[6]C)(SiC3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]CO)(COO){2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(SiC3)	104.1690	0.000	1	104.1690	0.000	1	104.1690	0.000	1	104.1690	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	3:3:4:3:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(OH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O){1|C<4>,4|H<1>,5|C<3>}	O(C[6]C[5,6]C[6]C)(H)	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	110.8514	1.875	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	3:3:4:3:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH){1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	111.2828	1.123	4	111.2828	1.260	4	111.2828	1.260	4	110.8514	1.875	5	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH){2|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	108.8470	0.000	1	108.8470	0.000	1	109.1541	2.132	11	109.1541	2.132	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH){2|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]C)(H)	107.9520	0.000	1	106.7660	2.813	2	109.1541	2.132	11	109.1541	2.132	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH){3|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]C)(H)	105.5800	0.000	1	106.7660	2.813	2	109.1541	2.132	11	109.1541	2.132	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){2|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	109.6535	0.303	4	109.7895	0.540	8	109.1541	2.132	11	109.1541	2.132	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){3|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	109.9255	1.057	4	109.7895	0.540	8	109.1541	2.132	11	109.1541	2.132	11	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	S[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH)	C[5,6](S[5,6]C[5,6]OO)(C[6]C[6]CO)(C[5]C[5]H)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5,6](S[5,6]C[5,6]OO)(C[6]C[6]CO)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	110.6755	0.351	2	110.6755	0.124	2	110.6755	0.124	2	110.6755	0.124	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	4:4:3:3:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(OH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]C)(H)	110.9550	0.000	2	110.9550	0.000	2	110.9550	0.000	2	110.9550	0.000	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH)	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]C)(H)	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:C-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(SiC3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]C)(SiC3)	109.5161	0.855	7	109.5161	0.731	7	109.5161	0.731	7	109.7064	0.916	8	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H)	O(C[6]C[5,6]C[6a]C[6])(CH3)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]O)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	O(C[6]C[5,6]C[6a]C[6])(CH3)	111.0380	0.000	1	111.0380	0.000	1	111.0380	0.000	1	109.7064	0.916	8	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC)	O(C[6]C[5,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6]2)(H)	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	105.2097	18.612	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:3:2:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH)	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	O(C[6]C[5,6]C[6a]C[6])(H)	102.7230	0.351	2	102.7230	0.123	2	102.7230	0.123	2	105.2097	18.612	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	2:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	O[5,6]-2:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH){1|H<1>,1|O<2>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]CO)(H){2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	3:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	108.4513	0.218	3	108.4513	0.048	3	108.4513	0.048	3	108.4513	0.048	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	3:4:4:3:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]CO)(C[5]N[5]O)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]CO)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	104.0070	0.000	1	104.0070	0.000	1	104.0070	0.000	1	104.0070	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[6]-4:O[5,6]-2:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	O(C[6]C[5,6]3)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	C[5,6](C[6]C[5,6]2O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]3)(H)	105.4830	0.000	1	105.4830	0.000	1	105.4830	0.000	1	108.0045	12.716	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:2:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	110.5260	0.000	1	110.5260	0.000	1	110.5260	0.000	1	108.0045	12.716	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:3:2:4:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[5]-3:O[5]-2:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CO){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[5,6]C[6]C)(H)	108.5512	0.389	6	108.5512	0.152	6	108.5512	0.152	6	108.5512	0.152	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	O(C[6]C[5,6]C[6]C)(H)	105.0550	0.000	1	105.0550	0.000	1	105.0550	0.000	1	105.0550	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H)	O(C[6]C[5,6]3)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(O[5]C[5])(H){1|C<3>,2|H<1>,3|O<2>,4|C<4>}	O(C[6]C[5,6]3)(H)	112.2500	0.000	1	112.2500	0.000	1	112.2500	0.000	1	109.0615	4.440	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]CO)(O[5]C[5])(H){1|N<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6,6]C)(H)	110.9730	0.000	1	110.9730	0.000	1	110.9730	0.000	1	109.0615	4.440	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(H){1|N<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	108.9210	0.000	1	108.9210	0.000	1	108.9210	0.000	1	109.0615	4.440	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	107.2865	0.269	2	107.2865	0.073	2	107.4083	0.081	3	109.0615	4.440	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(Se[5]Se[5])(H){2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	107.6520	0.000	1	107.6520	0.000	1	107.4083	0.081	3	109.0615	4.440	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:2:2:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(O[5]C[5,6])(O[6]C[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(O[5]C[5,6])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]C)(H)	103.5820	0.000	1	103.5820	0.000	1	103.5820	0.000	1	104.9637	1.469	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:2:2:	4:1:	C[6,6]-4:C[5,6]-4:C-4:O-2:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH)	C[5,6](C[6]C[6,6]CO)(C[6]C[6]HH)(O[5]C[5])2	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH){1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[6]C[6,6]CO)(C[6]C[6]HH)(O[5]C[5])2{3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6,6]C)(H)	105.6545	0.274	2	105.6545	0.075	2	105.6545	0.075	2	104.9637	1.469	3	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)(C[5]C[5]H)(H){4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	109.1790	2.745	2	109.1790	7.535	2	109.1790	7.535	2	109.1790	7.535	2	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:3:2:	4:1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5])	O(C[6]C[5,6]3)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]2O)(C[6]C[5,6]O)(O[5]C[5]){4|H<1>,4|O<2>,5|C<4>}	O(C[6]C[5,6]3)(H)	107.8590	0.000	1	107.8590	0.000	1	107.8590	0.000	1	107.8590	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:3:3:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	103.8590	0.000	1	103.8590	0.000	1	103.8590	0.000	1	103.8590	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:3:4:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(N[5]C[5]H)(CH3)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(N[5]C[5]H)(CH3){1|C<4>,1|O<1>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	105.9260	0.000	1	105.9260	0.000	1	105.9260	0.000	1	105.9260	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H)	O(C[6]C[5,6]C[5]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5]C[6]O)(C[5]O[5]CO)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[5]C[6])(H)	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	108.0915	6.544	15	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H)	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6,6]C)(H)	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	108.0915	6.544	15	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]O[5]CH)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]C)(H)	106.5300	0.000	1	106.5300	0.000	1	106.5300	0.000	1	108.0915	6.544	15	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,9|H<1>}	O(C[6]C[5,6]C[6]C)(H)	109.5045	0.187	2	109.5045	0.035	2	109.5160	0.018	3	108.0915	6.544	15	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	109.5390	0.000	1	109.5390	0.000	1	109.5160	0.018	3	108.0915	6.544	15	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	107.1760	0.000	1	107.1760	0.000	1	108.0507	9.257	8	108.0915	6.544	15	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH){1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]C)(H)	111.2715	0.865	2	111.2715	0.748	2	108.0507	9.257	8	108.0915	6.544	15	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]C)(H)	110.0220	0.000	1	110.0220	0.000	1	108.0507	9.257	8	108.0915	6.544	15	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	105.8740	0.000	1	105.8740	0.000	1	108.0507	9.257	8	108.0915	6.544	15	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	105.2290	0.000	1	105.2290	0.000	1	108.0507	9.257	8	108.0915	6.544	15	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CO)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]C)(H)	103.4100	0.000	1	103.4100	0.000	1	108.0507	9.257	8	108.0915	6.544	15	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	110.1520	0.000	1	110.1520	0.000	1	108.0507	9.257	8	108.0915	6.544	15	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	104.1450	0.000	1	104.1450	0.000	1	104.1450	0.000	1	108.0915	6.544	15	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H)	O(C[6]C[5,6]C[6]C)(CHHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,7|H<1>}	O(C[6]C[5,6]C[6]C)(CHHO)	111.2650	0.000	1	111.2650	0.000	1	111.2650	0.000	1	111.2650	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6]){1|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]C)(H)	108.0720	0.000	1	106.4065	5.548	2	106.4065	5.548	2	106.7417	4.943	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH){2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6]){1|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]C)(H)	104.7410	0.000	1	106.4065	5.548	2	106.4065	5.548	2	106.7417	4.943	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){4|H<1>,5|C<4>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CC)(C[6]C[6]CO)(O[5]C[5]){1|O<2>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]C)(H)	109.3580	0.000	1	109.3580	0.000	1	106.9093	6.278	4	106.7417	4.943	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	108.5200	0.000	1	108.5200	0.000	1	106.9093	6.278	4	106.7417	4.943	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[6]C[6]HH)(O[5]C[5])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	O(C[6]C[5,6]C[6]C)(H)	103.8790	0.000	1	103.8790	0.000	1	106.9093	6.278	4	106.7417	4.943	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[6]-4:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	C[5,6](C[5]O[5]HH)(C[6]C[6]CO)(C[6]C[6]FF)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]C)(H)	105.8800	0.000	1	105.8800	0.000	1	106.9093	6.278	4	106.7417	4.943	6	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5,6]	O	4:4:4:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[5,5,6]-4:C[6]-4:C[5]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]CO)(C[5]C[5]HH)(CCHH)	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,1|N<4>,3|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]CO)(C[5]C[5]HH)(CCHH){4|H<1>,5|C<4>}	O(C[6]C[5,6]C[6,6]C)(H)	103.3090	0.000	1	103.3090	0.000	1	103.3090	0.000	1	103.3090	0.000	1	109.6262	6.999	875	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	3:4:4:2:	4:2:3:1:	4:1:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,5])(C[5]C[5]H)(H)	O(C[6]C[6,6a]C[5]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,5])(C[5]C[5]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5]C[6])(H)	108.5700	0.000	1	108.5700	0.000	1	107.3153	3.596	3	107.3153	3.596	3	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	3:4:4:2:	4:2:3:1:	4:1:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[6]-4:O[5]-2:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,6])(C[5]C[5]H)(H)	O(C[6]C[6,6a]C[5]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[6]C[6,6a]C[6]O)(O[5]C[5,6])(C[5]C[5]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5]C[6])(H)	106.6880	2.198	2	106.6880	4.830	2	107.3153	3.596	3	107.3153	3.596	3	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:2:2:	4:4:2:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:C[5]-4:O[5]-2:H-1:	C[6]-4:C-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC)	C[5](C[6]C[6]O[6]O)(C[5]O[5]CH)(O[5]C[5])(H)	O(C[6]C[5]C[6]O[6])(CH3)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[6]C[6]O[6]O)(C[5]O[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	O(C[6]C[5]C[6]O[6])(CH3)	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	111.5320	0.000	1	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:2:2:	4:4:3:1:	4:1:	C[6]-4:C[5]-4:O[6]-2:O-2:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH)	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(C[5]N[5]O)(H)	O(C[6]C[5]C[6]O[6])(H)	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(C[5]N[5]O)(H){3|C<4>,4|H<1>}	O(C[6]C[5]C[6]O[6])(H)	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:2:2:	4:4:3:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[6]-4:C-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(OC)	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H)	O(C[6]C[5]C[6]O[6])(CH3)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(OC){1|C<3>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[5]C[6]O[6])(CH3)	111.3760	0.000	2	111.3760	0.000	2	111.3760	0.000	2	111.3760	0.000	2	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH)	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH){2|C<4>,3|O<2>,6|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H){1|B<3>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[5]C[6]2)(H)	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5]C[6]2)(H)	103.8210	0.000	1	103.8210	0.000	1	103.8210	0.000	1	103.8210	0.000	1	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:3:2:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H)	O(C[6]C[5]C[6]2)(CC[6a]C[5]H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	O(C[6]C[5]C[6]2)(CC[6a]C[5]H)	111.0670	0.000	1	111.0670	0.000	1	111.0670	0.000	1	111.0670	0.000	1	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	3:4:3:2:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5,6a]-3:C[6]-4:N[5]-3:O-2:	C[6]-4:H-1:	C[6](C[5]C[5,6a]N[5]O)(C[6]C[6]HH)2(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2O)(N[5]C[5]C)(OH)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,6a]N[5]O)(C[6]C[6]HH)2(OH){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2O)(N[5]C[5]C)(OH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[5]C[6]2)(H)	107.7265	0.409	2	107.7265	0.168	2	107.7265	0.168	2	107.7265	0.168	2	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:3:2:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6]-4:Si-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	C[5](C[6]C[6]2O)(C[5]C[5]H)(O[5]C[5])(H)	O(C[6]C[5]C[6]2)(SiC3)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){1|C<4>,2|C<3>,5|H<1>}	C[5](C[6]C[6]2O)(C[5]C[5]H)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	O(C[6]C[5]C[6]2)(SiC3)	106.5340	0.000	1	106.5340	0.000	1	107.1830	0.842	2	107.1830	0.842	2	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:3:2:1:	4:4:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6]-4:Si-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi)	C[5](C[6]C[6]2O)(C[5]C[5]Br)(O[5]C[5])(H)	O(C[6]C[5]C[6]2)(SiC3)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[6]C[6]2O)(C[5]C[5]Br)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	O(C[6]C[5]C[6]2)(SiC3)	107.8320	0.000	1	107.8320	0.000	1	107.1830	0.842	2	107.1830	0.842	2	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:H-1:	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6]C[6]2O)(O[5]C[5])(H){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	O(C[6]C[5]C[6]2)(H)	105.8480	0.000	1	105.8480	0.000	1	105.8480	0.000	1	105.8480	0.000	1	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[3,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH)	C[5](C[6]C[3,6]C[6]O)(C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H)	O(C[6]C[3,6]C[5]C[6])(H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[5](C[6]C[3,6]C[6]O)(C[5]C[3,5,6]HH)(C[5]C[5,6]O)(H){2|O<2>,3|H<1>,5|C<4>}	O(C[6]C[3,6]C[5]C[6])(H)	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	106.6213	6.862	7	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H)	O(C[6]C[5,6]C[5]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5](C[6]C[5,6]C[6]O)(C[5]C[5]CO)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[5]C[6])(H)	107.2990	0.000	1	107.2990	0.000	1	107.2990	0.000	1	106.6213	6.862	7	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[5]C[6]2)(H)	110.6180	0.000	1	110.6180	0.000	1	106.5797	16.205	3	106.6213	6.862	7	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)(H){1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5]C[6]2)(H)	104.5605	2.819	2	104.5605	7.948	2	106.5797	16.205	3	106.6213	6.862	7	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:3:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(C[6]C[6]2O)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[5]C[6]2)(H)	105.2690	0.109	2	105.2690	0.012	2	105.2690	0.012	2	106.6213	6.862	7	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:3:2:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[6]-4:C[5]-3:O-2:	C[6]-4:H-1:	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	O(C[6]C[5]C[6]2)(H)	106.0450	0.000	1	106.0450	0.000	1	106.0450	0.000	1	106.0450	0.000	1	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5,5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH){3|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,2|O<2>,5|H<1>,6|C<4>}	O(C[6]C[5]C[6]2)(H)	106.5165	0.057	2	106.5165	0.003	2	106.5165	0.003	2	108.1694	3.764	12	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5]C[6]2)(H)	108.9210	0.000	1	108.9210	0.000	1	109.1750	0.049	3	108.1694	3.764	12	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5]C[6]2)(H)	109.3280	0.000	1	109.3020	0.001	2	109.1750	0.049	3	108.1694	3.764	12	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5]C[6]2)(H)	109.2760	0.000	1	109.3020	0.001	2	109.1750	0.049	3	108.1694	3.764	12	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){2|O<2>,4|H<1>,5|C<4>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5]C[6]2)(H)	108.7740	0.000	1	108.7740	0.000	1	108.2107	5.466	7	108.1694	3.764	12	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,4|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5]C[6]2)(H)	110.3980	0.000	1	110.3980	0.000	1	108.2107	5.466	7	108.1694	3.764	12	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,5|C<4>,5|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5]C[6]2)(H)	103.0900	0.000	1	103.0900	0.000	1	108.2107	5.466	7	108.1694	3.764	12	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(C[6]C[6]2O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5]C[6]2)(H)	108.8032	0.152	4	108.8032	0.023	4	108.2107	5.466	7	108.1694	3.764	12	107.8922	5.255	36	109.5595	7.440	1263
466	474	893	0:SP3_SP3_SP3	C[6]	C[5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(C[6]C[6]2O)(CH3)	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH){1|O<2>,4|H<1>,6|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(C[6]C[6]2O)(CH3){1|Br<1>,2|C<4>,7|H<1>}	O(C[6]C[5]C[6]2)(H)	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	107.8922	5.255	36	109.5595	7.440	1263